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2-bromo-6-fluoro-3-hydroxyphenylboronic acid

2-bromo-6-fluoro-3-hydroxyphenylboronic acid

CAS: 1451392-83-8

Formula: C6H5BBrFO3

SMILES: OB(O)C1=C(F)C=CC(O)=C1Br

IUPAC: (2-bromo-6-fluoro-3-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H5BBrFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H

Composition: C (30.69%), H (2.15%), B (4.60%), Br (34.03%), F (8.09%), O (20.44%)

Molar Mass: 234.82

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.949915
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey UYGMWHVMPASBMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.42
Topological Polar Surface Area 60.69
Polarizability 16.98
Ring Count 1
Rotatable Bond Count 1

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