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3,4-difluoro-2-hydroxyphenylboronic acid

3,4-difluoro-2-hydroxyphenylboronic acid

Formula: C6H5BF2O3

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

IUPAC: (3,4-difluoro-2-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H5BF2O3/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2,10-12H

Composition: C (41.44%), H (2.90%), B (6.22%), F (21.85%), O (27.60%)

Molar Mass: 173.91

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.02998
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey DPYYAEHMLHHCLP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.02
Topological Polar Surface Area 60.69
Polarizability 13.74
Ring Count 1
Rotatable Bond Count 1

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