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2,3,4,6-tetrafluorophenylboronic acid

2,3,4,6-tetrafluorophenylboronic acid

CAS: 511295-00-4

Formula: C6H3BF4O2

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

IUPAC: (2,3,4,6-tetrafluorophenyl)boronic acid

InChI: InChI=1S/C6H3BF4O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1,12-13H

Composition: C (37.17%), H (1.56%), B (5.58%), F (39.19%), O (16.50%)

Molar Mass: 193.89

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.016222
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FYJHKJSCYHAWFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.47
Topological Polar Surface Area 40.46
Polarizability 12.88
Ring Count 1
Rotatable Bond Count 1

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