Cas no 81265-92-1 (3-indazol-2-ylbenzonitrile)
3-indazol-2-ylbenzonitrile structure
Product Name:3-indazol-2-ylbenzonitrile
CAS No:81265-92-1
MF:C14H9N3
MW:219.241362333298
CID:1802880
PubChem ID:3067345
Update Time:2025-04-21
3-indazol-2-ylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-indazol-2-ylbenzonitrile
- Benzonitrile, 3-(2H-indazol-2-yl)-
- 3-(2H-Indazol-2-yl)benzonitrile
- M.G. 18857
- DTXSID90231028
- 81265-92-1
-
- Inchi： 1S/C14H9N3/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16-17/h1-8,10H
- InChI Key： IETRONPRJQXZBZ-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=C(C#N)C=2)C=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 219.079647300g/mol
- Monoisotopic Mass: 219.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 319
- 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: 2.9
- Topological Polar Surface Area: 41.6?2
3-indazol-2-ylbenzonitrile Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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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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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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