Cas no 922184-67-6 (1H-Indole-3-carbonitrile, 7-chloro-2-methyl-1-(phenylmethyl)-)
922184-67-6 structure
Product Name:1H-Indole-3-carbonitrile, 7-chloro-2-methyl-1-(phenylmethyl)-
CAS No:922184-67-6
MF:C17H13ClN2
MW:280.751522779465
CID:741504
PubChem ID:71421579
Update Time:2025-04-19
1H-Indole-3-carbonitrile, 7-chloro-2-methyl-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-3-carbonitrile, 7-chloro-2-methyl-1-(phenylmethyl)-
- 1-benzyl-7-chloro-2-methylindole-3-carbonitrile
- 922184-67-6
- DTXSID90840639
- 1-Benzyl-7-chloro-2-methyl-1H-indole-3-carbonitrile
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- Inchi： 1S/C17H13ClN2/c1-12-15(10-19)14-8-5-9-16(18)17(14)20(12)11-13-6-3-2-4-7-13/h2-9H,11H2,1H3
- InChI Key： MRECRJIQLIBGNN-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2C(C#N)=C(C)N(CC3C=CC=CC=3)C=21
Computed Properties
- Exact Mass: 280.0767261g/mol
- Monoisotopic Mass: 280.0767261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 28.7?2
1H-Indole-3-carbonitrile, 7-chloro-2-methyl-1-(phenylmethyl)- Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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