2-(bromomethyl)-5-fluorobenzonitrile

2-(bromomethyl)-5-fluorobenzonitrile

CAS: 217661-27-3

Formula: C8H5BrFN

SMILES: FC1=CC=C(CBr)C(=C1)C#N

IUPAC: 2-(bromomethyl)-5-fluorobenzonitrile

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

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	SROUFENEQQOQIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.85
Topological Polar Surface Area	23.79
Polarizability	16.52
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	217661-27-3		$16.39-$204.28$16.39$105.92$204.28