3-bromo-2-fluoro-6-methoxyphenylboronic acid

3-bromo-2-fluoro-6-methoxyphenylboronic acid

CAS: 1309980-91-3

Formula: C7H7BBrFO3

SMILES: COC1=CC=C(Br)C(F)=C1B(O)O

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

InChI: InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3

Composition: C (33.79%), H (2.84%), B (4.34%), Br (32.11%), F (7.63%), O (19.29%)

Molar Mass: 248.84

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.965565
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BBNKVONBBPZCIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.91
Topological Polar Surface Area	49.69
Polarizability	18.82
Ring Count	1
Rotatable Bond Count	2

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