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2,6-difluoro-4-formylphenylboronic acid

2,6-difluoro-4-formylphenylboronic acid

CAS: 871125-93-8

Formula: C7H5BF2O3

SMILES: OB(O)C1=C(F)C=C(C=O)C=C1F

IUPAC: (2,6-difluoro-4-formylphenyl)boronic acid

InChI: InChI=1S/C7H5BF2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-3,12-13H

Composition: C (45.22%), H (2.71%), B (5.81%), F (20.44%), O (25.82%)

Molar Mass: 185.92

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.02998
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NQBHBNIZBDDDRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.62
Topological Polar Surface Area 57.53
Polarizability 15.01
Ring Count 1
Rotatable Bond Count 2

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