Cas no 89403-97-4 (Benzonitrile, 2-amino-4-chloro-3-nitro-)
89403-97-4 structure
Product Name:Benzonitrile, 2-amino-4-chloro-3-nitro-
CAS No:89403-97-4
MF:C7H4ClN3O2
MW:197.578559875488
CID:602025
PubChem ID:71323987
Update Time:2025-04-19
Benzonitrile, 2-amino-4-chloro-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-amino-4-chloro-3-nitro-
- 2-amino-4-chloro-3-nitrobenzonitrile
- 89403-97-4
- DTXSID20753501
-
- Inchi： 1S/C7H4ClN3O2/c8-5-2-1-4(3-9)6(10)7(5)11(12)13/h1-2H,10H2
- InChI Key： ISQPCSNYJSABLQ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C#N)C(=C1[N+](=O)[O-])N
Computed Properties
- Exact Mass: 196.9992041g/mol
- Monoisotopic Mass: 196.9992041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 256
- 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
- Topological Polar Surface Area: 95.6?2
Benzonitrile, 2-amino-4-chloro-3-nitro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
89403-97-4 (Benzonitrile, 2-amino-4-chloro-3-nitro-) Related Products
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