Cas no 40249-43-2 (1,3-Benzenedicarbonitrile, 2-amino-5-bromo-)
40249-43-2 structure
Product Name:1,3-Benzenedicarbonitrile, 2-amino-5-bromo-
CAS No:40249-43-2
MF:C8H4BrN3
MW:222.041460037231
CID:324457
PubChem ID:19777628
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-amino-5-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-amino-5-bromo-
- 2-amino-5-bromobenzene-1,3-dicarbonitrile
- DTXSID20599820
- SCHEMBL9478745
- 40249-43-2
-
- Inchi： 1S/C8H4BrN3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2H,12H2
- InChI Key： CIVQKYPSJGJRGD-UHFFFAOYSA-N
- SMILES： BrC1C=C(C#N)C(=C(C#N)C=1)N
Computed Properties
- Exact Mass: 220.95886g/mol
- Monoisotopic Mass: 220.95886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 1.9
- Topological Polar Surface Area: 73.6?2
1,3-Benzenedicarbonitrile, 2-amino-5-bromo- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
40249-43-2 (1,3-Benzenedicarbonitrile, 2-amino-5-bromo-) Related Products
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