Home Halogens 2-bromobenzene-1,3-dicarbonitrile

2-bromobenzene-1,3-dicarbonitrile

CAS No.:
22433-90-5
Catalog Number:
AG00BJO2
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
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Product Description
Catalog Number:
AG00BJO2
Chemical Name:
2-bromobenzene-1,3-dicarbonitrile
CAS Number:
22433-90-5
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
MDL Number:
MFCD21604249
IUPAC Name:
2-bromobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H3BrN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChI Key:
PCTWWYKFRYQMOH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)C#N
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.948g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.03g/mol
Monoisotopic Mass:
205.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties