2-(2-bromo-5-fluorophenyl)acetonitrile

2-(2-bromo-5-fluorophenyl)acetonitrile

CAS: 886761-96-2

Formula: C8H5BrFN

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

IUPAC: 2-(2-bromo-5-fluorophenyl)acetonitrile

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