2-(2-bromo-4-chlorophenyl)acetonitrile

2-(2-bromo-4-chlorophenyl)acetonitrile

CAS: 52864-54-7

Formula: C8H5BrClN

SMILES: ClC1=CC(Br)=C(CC#N)C=C1

IUPAC: 2-(2-bromo-4-chlorophenyl)acetonitrile

InChI: InChI=1S/C8H5BrClN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2

Composition: C (41.69%), H (2.19%), Br (34.67%), Cl (15.38%), N (6.08%)

Molar Mass: 230.49

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.92939
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NSUWXNIKPGCUPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.77
Topological Polar Surface Area	23.79
Polarizability	18.6
Ring Count	1
Rotatable Bond Count	1

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