4-bromo-3-fluorobenzonitrile

4-bromo-3-fluorobenzonitrile

CAS: 133059-44-6

Formula: C7H3BrFN

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

IUPAC: 4-bromo-3-fluorobenzonitrile

InChI: InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

Composition: C (42.04%), H (1.51%), Br (39.95%), F (9.50%), N (7.00%)

Molar Mass: 200.01

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.94329
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QBKXYSXQKRNVRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.62
Topological Polar Surface Area	23.79
Polarizability	14.82
Ring Count	1
Rotatable Bond Count	0

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