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5-chloro-2,3-difluorophenylboronic acid

5-chloro-2,3-difluorophenylboronic acid

CAS: 2377610-07-4

Formula: C6H4BClF2O2

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

IUPAC: (5-chloro-2,3-difluorophenyl)boronic acid

InChI: InChI=1S/C6H4BClF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/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 HQWCUVBLTRKJRJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.84
Topological Polar Surface Area 40.46
Polarizability 15.03
Ring Count 1
Rotatable Bond Count 1

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