6-bromo-2-fluoro-3-methylphenylboronic acid

6-bromo-2-fluoro-3-methylphenylboronic acid

CAS: 957061-15-3

Formula: C7H7BBrFO2

SMILES: CC1=C(F)C(B(O)O)=C(Br)C=C1

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

InChI: InChI=1S/C7H7BBrFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3

Composition: C (36.11%), H (3.03%), B (4.64%), Br (34.32%), F (8.16%), O (13.74%)

Molar Mass: 232.84

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.970651
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NJHQHIZZGJAIAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.48
Topological Polar Surface Area	40.46
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	1

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