Journal of the American Chemical Society - 6333 compounds - page 71
| 1,1-diphenyl-2-butanone | ||
|---|---|---|
Molecular Formula: |
C16H16O |
|
Molecular Weight: |
224.302 g/mol |
|
Cas Number: |
6336-52-3 |
|
InChIKey: |
QVOFDZINRNBPOP-UHFFFAOYAX |
|
| bromomethane | ||
Molecular Formula: |
CH3Br |
|
Molecular Weight: |
94.939 g/mol |
|
Cas Number: |
74-83-9 |
|
InChIKey: |
GZUXJHMPEANEGY-UHFFFAOYAV |
|
| 4-[(4-aminocyclohexyl)methyl]cyclohexylamine | ||
Molecular Formula: |
C13H26N2 |
|
Molecular Weight: |
210.363 g/mol |
|
Cas Number: |
1761-71-3 |
|
InChIKey: |
DZIHTWJGPDVSGE-UHFFFAOYAZ |
|
| ethyl 1-ethyl-4-(4-hydroxyphenyl)-2-oxo-3-cyclohexene-1-carboxylate | ||
Molecular Formula: |
C17H20O4 |
|
Molecular Weight: |
288.343 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
OEIXYSUMESWHGO-UHFFFAOYAD |
|
| 2-bromophenylphosphonic dichloride | ||
Molecular Formula: |
C6H4BrCl2OP |
|
Molecular Weight: |
273.88 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
LRDZXAHDKBMKMR-UHFFFAOYAA |
|
| diethyl 2-bromophenylphosphonate | ||
Molecular Formula: |
C10H14BrO3P |
|
Molecular Weight: |
293.097 g/mol |
|
Cas Number: |
77526-90-0 |
|
InChIKey: |
VAEMTXXZNPDQNC-UHFFFAOYAS |
|
| ethylsulfamic acid | ||
Molecular Formula: |
C2H7NO3S |
|
Molecular Weight: |
125.149 g/mol |
|
Cas Number: |
4626-94-2 |
|
InChIKey: |
SIVVHUQWDOGLJN-JLSKMEETCH |
|
| bis(4-chlorophenyl)(hydroxy)acetic acid | ||
Molecular Formula: |
C14H10Cl2O3 |
|
Molecular Weight: |
297.137 g/mol |
|
Cas Number: |
23851-46-9 |
|
InChIKey: |
LXFMMUDXRIMBHN-HCKMINDGCT |
|
| 1,3-dihydro-2H-indol-2-one | ||
Molecular Formula: |
C8H7NO |
|
Molecular Weight: |
133.15 g/mol |
|
Cas Number: |
59-48-3 |
|
InChIKey: |
JYGFTBXVXVMTGB-BGGKNDAXCB |
|
| 3-methylphenanthrene | ||
Molecular Formula: |
C15H12 |
|
Molecular Weight: |
192.26 g/mol |
|
Cas Number: |
832-71-3 |
|
InChIKey: |
GKYWZUBZZBHZKU-UHFFFAOYAO |
|
| 1,4-benzodithiine | ||
Molecular Formula: |
C8H6S2 |
|
Molecular Weight: |
166.268 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
DCIDQCMMRAKNNR-UHFFFAOYAR |
|
| 1-methyl-1-pentyl-2-propynylamine | ||
Molecular Formula: |
C9H17N |
|
Molecular Weight: |
139.241 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
QHIAJKXEEHZIQJ-UHFFFAOYAV |
|
| S-(3-methylphenyl) ethanethioate | ||
Molecular Formula: |
C9H10OS |
|
Molecular Weight: |
166.244 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
NEVMSQGKIHMDNC-UHFFFAOYAO |
|
| 3-ethyl-5-nitro-1H-indole | ||
Molecular Formula: |
C10H10N2O2 |
|
Molecular Weight: |
190.202 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ZIRWJKIUEPRDEK-UHFFFAOYAZ |
|
| 4-hydroxy-3-(1-piperidinylmethyl)-2H-chromen-2-one | ||
Molecular Formula: |
C15H17NO3 |
|
Molecular Weight: |
259.305 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ZZUCJGSOKDNIEZ-UHFFFAOYAZ |
|
| 4-methyl-2-oxo-2H-chromene-3-carboxylic acid | ||
Molecular Formula: |
C11H8O4 |
|
Molecular Weight: |
204.182 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
PZHSARNBSOWZHY-XWKXFZRBCH |
|
| 4-methyl-2-oxo-2H-chromene-3-carbonitrile | ||
Molecular Formula: |
C11H7NO2 |
|
Molecular Weight: |
185.182 g/mol |
|
Cas Number: |
24526-69-0 |
|
InChIKey: |
FFBLBFMTKGSSPY-UHFFFAOYAB |
|
| 4-Aminocrotonic Acid | ||
Molecular Formula: |
C4H7NO2 |
|
Molecular Weight: |
101.105 g/mol |
|
Cas Number: |
38090-53-8 |
|
InChIKey: |
FMKJUUQOYOHLTF-KHBIFFSIDC |
|
| (E)-4-(2-phenylethanoylamino)but-2-enoic acid | ||
Molecular Formula: |
C12H13NO3 |
|
Molecular Weight: |
219.24 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
XZQPCHPTAHVQSM-FNOHYKNBDL |
|
| 6,7-diphenyl-4-pteridinamine | ||
Molecular Formula: |
C18H13N5 |
|
Molecular Weight: |
299.335 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
UNCLLCFVXMWKCO-SDRQFZCRCU |
|
| (2Z,4E)-2,3-dichloro-4-(phenylhydrazono)-2-butenoic acid | ||
Molecular Formula: |
C10H8Cl2N2O2 |
|
Molecular Weight: |
259.091 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
UPOVJFRBUSNHPY-DYBAQABUDY |
|
| 4,5-dichloro-2-phenylpyridazin-3-one | ||
Molecular Formula: |
C10H6Cl2N2O |
|
Molecular Weight: |
241.076 g/mol |
|
Cas Number: |
1698-53-9 |
|
InChIKey: |
VKWCOHVAHQOJGU-UHFFFAOYAW |
|
| N'-(1-cyano-1-methylethyl)isonicotinohydrazide | ||
Molecular Formula: |
C10H12N4O |
|
Molecular Weight: |
204.232 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
PFVHAKVFTBETFZ-NDKGDYFDCJ |
|
| N'-isopropylisonicotinohydrazide | ||
Molecular Formula: |
C9H13N3O |
|
Molecular Weight: |
179.222 g/mol |
|
Cas Number: |
54-92-2 |
|
InChIKey: |
NYMGNSNKLVNMIA-XWKXFZRBCZ |
|
| 2-(ethoxycarbonyl)tryptophan | ||
Molecular Formula: |
C14H16N2O4 |
|
Molecular Weight: |
276.292 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
HSICQDSHJMNIIB-HCKMINDGCY |
|
| 2-naphthalenamine | ||
Molecular Formula: |
C10H9N |
|
Molecular Weight: |
143.188 g/mol |
|
Cas Number: |
91-59-8 |
|
InChIKey: |
JBIJLHTVPXGSAM-UHFFFAOYAA |
|
| 9H-xanthene-9-carbonitrile | ||
Molecular Formula: |
C14H9NO |
|
Molecular Weight: |
207.232 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ATOQLGNDBZUHKM-UHFFFAOYAS |
|
| [(1E)-1-ethyl-1-butenyl]benzene | ||
Molecular Formula: |
C12H16 |
|
Molecular Weight: |
160.259 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
VXSDBQWRBMLKRL-DHZHZOJOBH |
|
| N-(2,2,2-trichloro-1-hydroxyethyl)-2-furamide | ||
Molecular Formula: |
C7H6Cl3NO3 |
|
Molecular Weight: |
258.488 g/mol |
|
Cas Number: |
6945-02-4 |
|
InChIKey: |
GRGOQUBKQQMSQV-WXRBYKJCCK |
|
| 1,2,3,6-tetrahydroazulene | ||
Molecular Formula: |
C10H12 |
|
Molecular Weight: |
132.205 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ORKVEACICFUTSY-UHFFFAOYAJ |
|
| azulene | ||
Molecular Formula: |
C10H8 |
|
Molecular Weight: |
128.174 g/mol |
|
Cas Number: |
275-51-4 |
|
InChIKey: |
CUFNKYGDVFVPHO-UHFFFAOYAT |
|
| 2-phenyl-2,4,6-cycloheptatrien-1-one | ||
Molecular Formula: |
C13H10O |
|
Molecular Weight: |
182.222 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
UDHQYCHTORTPRF-UHFFFAOYAK |
|
| 5-hydroxy-2-methylhexanal | ||
Molecular Formula: |
C7H14O2 |
|
Molecular Weight: |
130.187 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
NVXUYAXUYVQAKL-UHFFFAOYAH |
|
| 2-butyl-5-nitroisoindole-1,3-dione | ||
Molecular Formula: |
C12H12N2O4 |
|
Molecular Weight: |
248.238 g/mol |
|
Cas Number: |
54395-37-8 |
|
InChIKey: |
LSVBBJVITBGNFC-UHFFFAOYAV |
|
| 3-aminopropyl hydrogen sulfate | ||
Molecular Formula: |
C3H9NO4S |
|
Molecular Weight: |
155.175 g/mol |
|
Cas Number: |
1071-29-0 |
|
InChIKey: |
LZOFQGWJBGZHMW-JSWHHWTPCH |
|
| 3,3,4,4,5,5,5-heptafluoro-2-methyl-2-pentanol | ||
Molecular Formula: |
C6H7F7O |
|
Molecular Weight: |
228.11 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
CZPWXOSMOFCBOR-UHFFFAOYAZ |
|
| 7-(2-chloroethyl)-6-methyl-4,5-dihydroazepino[3,2,1-hi]indole | ||
Molecular Formula: |
C15H16ClN |
|
Molecular Weight: |
245.751 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
AISYEUPMKQNYOU-UHFFFAOYAL |
|
| methyl (10-oxo-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl)acetate | ||
Molecular Formula: |
C17H20O3 |
|
Molecular Weight: |
272.344 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
HDIIJIIUFPVELA-UHFFFAOYAS |
|
| methyl 2,4-dinitrobenzenesulfenate | ||
Molecular Formula: |
C7H6N2O5S |
|
Molecular Weight: |
230.201 g/mol |
|
Cas Number: |
10344-04-4 |
|
InChIKey: |
IRFJXZQAFVYYDL-UHFFFAOYAI |
|
| 1-methyl-2-(methylsulfanyl-methyl)-benzene | ||
Molecular Formula: |
C9H12S |
|
Molecular Weight: |
152.26 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
YBVQXWLUJTZFON-UHFFFAOYAO |
|
| 4,5-dihydro-3H-benzo[cd]pyrene | ||
Molecular Formula: |
C19H14 |
|
Molecular Weight: |
242.32 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
SRCXESQVMOUPNZ-UHFFFAOYAJ |
|
| 4-methyl-10-(2-methylphenyl)-9(10H)-anthracenone | ||
Molecular Formula: |
C22H18O |
|
Molecular Weight: |
298.384 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
VADVJCYIJRJMJU-UHFFFAOYAD |
|
| 13-methyl-13H-dibenzo[a,i]fluorene | ||
Molecular Formula: |
C22H16 |
|
Molecular Weight: |
280.369 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
NTUGRHDQEBQRPS-UHFFFAOYAR |
|
| methyl 2-acetylbenzoate | ||
Molecular Formula: |
C10H10O3 |
|
Molecular Weight: |
178.188 g/mol |
|
Cas Number: |
1077-79-8 |
|
InChIKey: |
UFOAYTOVTNNRKJ-UHFFFAOYAL |
|
| 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-1-propene | ||
Molecular Formula: |
C4F8 |
|
Molecular Weight: |
200.031 g/mol |
|
Cas Number: |
382-21-8 |
|
InChIKey: |
DAFIBNSJXIGBQB-UHFFFAOYAF |
|
| 2-hydroxy-2-thiophen-3-ylacetic acid | ||
Molecular Formula: |
C6H6O3S |
|
Molecular Weight: |
158.178 g/mol |
|
Cas Number: |
22098-20-0 |
|
InChIKey: |
SYSIWCFUWJWRHD-FZOZFQFYCB |
|
| 2-hydroxy-2-phenyl-2-thiophen-3-ylacetic acid | ||
Molecular Formula: |
C12H10O3S |
|
Molecular Weight: |
234.276 g/mol |
|
Cas Number: |
3193-25-7 |
|
InChIKey: |
NGRIKMVPULGUNF-NDKGDYFDCH |
|
| ethyl 3-anilino-2-nitro-3-oxopropanoate | ||
Molecular Formula: |
C11H12N2O5 |
|
Molecular Weight: |
252.227 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
QWJJALSWIXYNAU-XWKXFZRBCM |
|
| 2-phenyl-phenol | ||
Molecular Formula: |
C12H10O |
|
Molecular Weight: |
170.211 g/mol |
|
Cas Number: |
90-43-7 |
|
InChIKey: |
LLEMOWNGBBNAJR-UHFFFAOYAF |
|
| 2,2,2-trichloroethyl acetate | ||
Molecular Formula: |
C4H5Cl3O2 |
|
Molecular Weight: |
191.441 g/mol |
|
Cas Number: |
625-24-1 |
|
InChIKey: |
XHAXVDWUMCHTCY-UHFFFAOYAM |
|
