2-(3-bromo-2-methylphenyl)acetonitrile

2-(3-bromo-2-methylphenyl)acetonitrile

CAS: 76574-42-0

Formula: C9H8BrN

SMILES: CC1=C(CC#N)C=CC=C1Br

IUPAC: 2-(3-bromo-2-methylphenyl)acetonitrile

InChI: InChI=1S/C9H8BrN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5H2,1H3

Composition: C (51.46%), H (3.84%), Br (38.04%), N (6.67%)

Molar Mass: 210.074

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.984012
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VBNCKBSHNGLORC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.01
Topological Polar Surface Area	23.79
Polarizability	18.38
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	76574-42-0		$39.09-$296.34$39.09$93.31$296.34