2-(3-bromophenyl)acetonitrile

2-(3-bromophenyl)acetonitrile

CAS: 31938-07-5

Formula: C8H6BrN

SMILES: BrC1=CC=CC(CC#N)=C1

IUPAC: 2-(3-bromophenyl)acetonitrile

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

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	UUZYFBXKWIQKTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.97
Topological Polar Surface Area	23.79
Polarizability	16.63
Ring Count	1
Rotatable Bond Count	1

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