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151357-48-1 | 1,2-Benzenedicarbonitrile, 4-(bromomethyl)-
CAS No: 151357-48-1 Catalog No: AG001NAO MDL No:
Product Description
Catalog Number:
AG001NAO
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(bromomethyl)-
CAS Number:
151357-48-1
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
IUPAC Name:
4-(bromomethyl)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H,4H2
InChI Key:
PGVWTUZLUZOGDL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CBr)ccc1C#N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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