3-cyano-2-fluorophenylboronic acid

3-cyano-2-fluorophenylboronic acid

CAS: 957121-05-0

Formula: C7H5BFNO2

SMILES: OB(O)C1=CC=CC(C#N)=C1F

IUPAC: (3-cyano-2-fluorophenyl)boronic acid

InChI: InChI=1S/C7H5BFNO2/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,11-12H

Composition: C (50.98%), H (3.06%), B (6.55%), F (11.52%), N (8.49%), O (19.40%)

Molar Mass: 164.93

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.039737
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HENIWPFEWBREIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.54
Topological Polar Surface Area	64.25
Polarizability	15.09
Ring Count	1
Rotatable Bond Count	1

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