2-(5-bromo-2-chloro-4-fluorophenyl)acetonitrile

2-(5-bromo-2-chloro-4-fluorophenyl)acetonitrile

CAS: 1426290-08-5

Formula: C8H4BrClFN

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

IUPAC: 2-(5-bromo-2-chloro-4-fluorophenyl)acetonitrile

InChI: InChI=1S/C8H4BrClFN/c9-6-3-5(1-2-12)7(10)4-8(6)11/h3-4H,1H2

Composition: C (38.67%), H (1.62%), Br (32.16%), Cl (14.27%), F (7.65%), N (5.64%)

Molar Mass: 248.48

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.919968
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FCPQGCLAYLWCBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.99
Topological Polar Surface Area	23.79
Polarizability	18.48
Ring Count	1
Rotatable Bond Count	1

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