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4-chloro-2,3-difluorophenylboronic acid

4-chloro-2,3-difluorophenylboronic acid

CAS: 1160561-28-3

Formula: C6H4BClF2O2

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

IUPAC: (4-chloro-2,3-difluorophenyl)boronic acid

InChI: InChI=1S/C6H4BClF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

Composition: C (37.47%), H (2.10%), B (5.62%), Cl (18.43%), F (19.75%), O (16.64%)

Molar Mass: 192.35

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.996093
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QADBJOSUOMFYHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.84
Topological Polar Surface Area 40.46
Polarizability 15.06
Ring Count 1
Rotatable Bond Count 1

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95% <2 Days 1160561-28-3 $51.35-$86.31$51.35$63.37$86.31
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