2-bromo-3-methylbenzonitrile

2-bromo-3-methylbenzonitrile

CAS: 263159-64-4

Formula: C8H6BrN

SMILES: CC1=C(Br)C(=CC=C1)C#N

IUPAC: 2-bromo-3-methylbenzonitrile

InChI: InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3

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	RNHZLKDKPMISMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.44
Topological Polar Surface Area	23.79
Polarizability	16.71
Ring Count	1
Rotatable Bond Count	0

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