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2-fluoro-5-formylphenylboronic acid

2-fluoro-5-formylphenylboronic acid

CAS: 352534-79-3

Formula: C7H6BFO3

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

IUPAC: (2-fluoro-5-formylphenyl)boronic acid

InChI: InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(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 SQSWYWCEKCVQEA-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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