2-(bromomethyl)benzonitrile

2-(bromomethyl)benzonitrile

CAS: 22115-41-9

Formula: C8H6BrN

SMILES: BrCC1=CC=CC=C1C#N

IUPAC: 2-(bromomethyl)benzonitrile

InChI: InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

Composition: C (49.01%), H (3.08%), Br (40.76%), N (7.14%)

Molar Mass: 196.047

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.968362
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QGXNHCXKWFNKCG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.63
Topological Polar Surface Area	23.79
Polarizability	16.68
Ring Count	1
Rotatable Bond Count	1

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