Cas no 922184-66-5 (1H-Indole-3-carbonitrile, 5-chloro-2-methyl-1-(phenylmethyl)-)
922184-66-5 structure
Product Name:1H-Indole-3-carbonitrile, 5-chloro-2-methyl-1-(phenylmethyl)-
CAS No:922184-66-5
MF:C17H13ClN2
MW:280.751522779465
CID:741505
PubChem ID:71421580
Update Time:2025-04-19
1H-Indole-3-carbonitrile, 5-chloro-2-methyl-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-3-carbonitrile, 5-chloro-2-methyl-1-(phenylmethyl)-
- 1-benzyl-5-chloro-2-methylindole-3-carbonitrile
- 922184-66-5
- 1-Benzyl-5-chloro-2-methyl-1H-indole-3-carbonitrile
- DTXSID00840640
-
- Inchi: 1S/C17H13ClN2/c1-12-16(10-19)15-9-14(18)7-8-17(15)20(12)11-13-5-3-2-4-6-13/h2-9H,11H2,1H3
- InChI Key: JZKISBBHEKBVOJ-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)C(C#N)=C(C)N2CC1C=CC=CC=1
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, 5-chloro-2-methyl-1-(phenylmethyl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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