2-(bromomethyl)-3-chlorobenzonitrile

2-(bromomethyl)-3-chlorobenzonitrile

CAS: 77533-18-7

Formula: C8H5BrClN

SMILES: ClC1=CC=CC(C#N)=C1CBr

IUPAC: 2-(bromomethyl)-3-chlorobenzonitrile

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

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	ZZBRTAXRIKBTMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.43
Topological Polar Surface Area	23.79
Polarizability	18.65
Ring Count	1
Rotatable Bond Count	1

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95%	<7 Days	77533-18-7		$221.49$221.49

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98%	<2 Days	77533-18-7		$109.25$109.25$109.25

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96%	<14 Days	77533-18-7		$283.50$283.50