Cas no 873417-01-7 (Cinchomerononitrile, 5-bromo- (4CI))
873417-01-7 structure
Product Name:Cinchomerononitrile, 5-bromo- (4CI)
CAS No:873417-01-7
MF:C7H2BrN3
MW:208.014879703522
CID:709546
Update Time:2023-11-18
Cinchomerononitrile, 5-bromo- (4CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyridinedicarbonitrile,5-bromo-
- Cinchomerononitrile, 5-bromo- (4CI)
- 3,4-Pyridinedicarbonitrile, 5-bromo-
- CID 118988989
- Cinchomerononitrile, 5-bromo- (4CI)
-
- Inchi： 1S/C7H2BrN3/c8-7-4-11-3-5(1-9)6(7)2-10/h3-4H
- InChI Key： LWAQGMZXTRVTII-UHFFFAOYSA-N
- SMILES： BrC1=CN=CC(C#N)=C1C#N
Computed Properties
- Exact Mass: 206.943
- Monoisotopic Mass: 206.943
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 233
- 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: 60.5
Cinchomerononitrile, 5-bromo- (4CI) Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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