2-(3-bromo-4-fluorophenyl)acetonitrile

2-(3-bromo-4-fluorophenyl)acetonitrile

CAS: 501420-63-9

Formula: C8H5BrFN

SMILES: FC1=CC=C(CC#N)C=C1Br

IUPAC: 2-(3-bromo-4-fluorophenyl)acetonitrile

InChI: InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2

Composition: C (44.89%), H (2.35%), Br (37.33%), F (8.88%), N (6.54%)

Molar Mass: 214.037

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.95894
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ORKCKZRBHXMWBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.18
Topological Polar Surface Area	23.79
Polarizability	16.48
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	501420-63-9		$20.18-$759.12$20.18$134.93$228.24$759.12