4-bromo-2,3-difluorobenzonitrile

4-bromo-2,3-difluorobenzonitrile

CAS: 126163-58-4

Formula: C7H2BrF2N

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

IUPAC: 4-bromo-2,3-difluorobenzonitrile

InChI: InChI=1S/C7H2BrF2N/c8-5-2-1-4(3-11)6(9)7(5)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	ITPYJIMXMPQSBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.84
Topological Polar Surface Area	23.79
Polarizability	14.74
Ring Count	1
Rotatable Bond Count	0

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