2,5-difluorophenylboronic acid

2,5-difluorophenylboronic acid

CAS: 193353-34-3

Formula: C6H5BF2O2

SMILES: OB(O)C1=C(F)C=CC(F)=C1

IUPAC: (2,5-difluorophenyl)boronic acid

InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H

Composition: C (45.64%), H (3.19%), B (6.85%), F (24.06%), O (20.26%)

Molar Mass: 157.91

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	158.035066
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KTOJGSDLJNUAEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.04
Topological Polar Surface Area	40.46
Polarizability	13.04
Ring Count	1
Rotatable Bond Count	1

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