2-fluoro-4-formylphenylboronic acid

2-fluoro-4-formylphenylboronic acid

CAS: 871126-22-6

Formula: C7H6BFO3

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

IUPAC: (2-fluoro-4-formylphenyl)boronic acid

InChI: InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H

Composition: C (50.07%), H (3.60%), B (6.44%), F (11.31%), O (28.58%)

Molar Mass: 167.93

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.039402
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OAEJODVYVOAOPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.4
Topological Polar Surface Area	57.53
Polarizability	15.18
Ring Count	1
Rotatable Bond Count	2

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