Cas no 1182284-35-0 (2H-Indazole-3-carbonitrile, 6-bromo-2-methyl-)
1182284-35-0 structure
Product Name:2H-Indazole-3-carbonitrile, 6-bromo-2-methyl-
CAS No:1182284-35-0
MF:C9H6BrN3
MW:236.068040370941
CID:97721
Update Time:2023-04-05
2H-Indazole-3-carbonitrile, 6-bromo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Indazole-3-carbonitrile,6-bromo-2-methyl-
- 6-bromo-2-methyl-indazole-3-carbonitrile
- 2H-Indazole-3-carbonitrile, 6-bromo-2-methyl-
-
- Inchi： 1S/C9H6BrN3/c1-13-9(5-11)7-3-2-6(10)4-8(7)12-13/h2-4H,1H3
- InChI Key： VDRHKQCCGWIWOS-UHFFFAOYSA-N
- SMILES： N1=C2C(C=CC(Br)=C2)=C(C#N)N1C
Computed Properties
- Exact Mass: 234.975
- Monoisotopic Mass: 234.975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 247
- 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
- Topological Polar Surface Area: 41.6A^2
2H-Indazole-3-carbonitrile, 6-bromo-2-methyl- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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