4-bromo-3-methylbenzonitrile

4-bromo-3-methylbenzonitrile

CAS: 41963-20-6

Formula: C8H6BrN

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

IUPAC: 4-bromo-3-methylbenzonitrile

InChI: InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(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	SKXUZFJOLNNWIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.44
Topological Polar Surface Area	23.79
Polarizability	16.7
Ring Count	1
Rotatable Bond Count	0

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98%	<6 Days	41963-20-6		$5.75-$570.40$5.75$9.20$17.25$35.65$139.15$570.40

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