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4-bromo-2,5-difluorophenylboronic acid

4-bromo-2,5-difluorophenylboronic acid

CAS: 1106676-82-7

Formula: C6H4BBrF2O2

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

IUPAC: (4-bromo-2,5-difluorophenyl)boronic acid

InChI: InChI=1S/C6H4BBrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2,11-12H

Composition: C (30.43%), H (1.70%), B (4.56%), Br (33.74%), F (16.05%), O (13.51%)

Molar Mass: 236.81

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.945579
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RWBIJRFCSHAOGQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.66
Topological Polar Surface Area 40.46
Polarizability 16.18
Ring Count 1
Rotatable Bond Count 1

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