Cas no 62391-20-2 (1H-Indole-1-acetonitrile, 2-methyl-3-phenyl-)
62391-20-2 structure
Product Name:1H-Indole-1-acetonitrile, 2-methyl-3-phenyl-
CAS No:62391-20-2
MF:C17H14N2
MW:246.306463718414
CID:446563
PubChem ID:12336915
Update Time:2025-04-19
1H-Indole-1-acetonitrile, 2-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-acetonitrile, 2-methyl-3-phenyl-
- 2-(2-methyl-3-phenylindol-1-yl)acetonitrile
- 62391-20-2
- SCHEMBL11711942
- DTXSID30491487
- 2-(2-methyl-3-phenyl-1H-indol-1-yl)acetonitrile
- (2-Methyl-3-phenyl-1H-indol-1-yl)acetonitrile
-
- Inchi： 1S/C17H14N2/c1-13-17(14-7-3-2-4-8-14)15-9-5-6-10-16(15)19(13)12-11-18/h2-10H,12H2,1H3
- InChI Key： XRKZJFUVDRNPCH-UHFFFAOYSA-N
- SMILES： N1(CC#N)C2C=CC=CC=2C(C2C=CC=CC=2)=C1C
Computed Properties
- Exact Mass: 246.11582
- Monoisotopic Mass: 246.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 350
- 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: 3.9
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.72
1H-Indole-1-acetonitrile, 2-methyl-3-phenyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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