6-bromo-2-fluoro-3-formylphenylboronic acid

6-bromo-2-fluoro-3-formylphenylboronic acid

CAS: 1315340-55-6

Formula: C7H5BBrFO3

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

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

InChI: InChI=1S/C7H5BBrFO3/c9-5-2-1-4(3-11)7(10)6(5)8(12)13/h1-3,12-13H

Composition: C (34.06%), H (2.04%), B (4.38%), Br (32.37%), F (7.70%), O (19.45%)

Molar Mass: 246.83

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.949915
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OYJQHXWCSHEDMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.03
Topological Polar Surface Area	57.53
Polarizability	18.23
Ring Count	1
Rotatable Bond Count	2

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