4-bromo-3,5-difluorobenzonitrile

4-bromo-3,5-difluorobenzonitrile

CAS: 123688-59-5

Formula: C7H2BrF2N

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

IUPAC: 4-bromo-3,5-difluorobenzonitrile

InChI: InChI=1S/C7H2BrF2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H

Composition: C (38.57%), H (0.92%), Br (36.65%), F (17.43%), N (6.43%)

Molar Mass: 218.001

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.933868
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LRMUGJVHRUVMHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.84
Topological Polar Surface Area	23.79
Polarizability	14.75
Ring Count	1
Rotatable Bond Count	0

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