3-bromo-5-methoxyphenylboronic acid

3-bromo-5-methoxyphenylboronic acid

CAS: 849062-12-0

Formula: C7H8BBrO3

SMILES: COC1=CC(Br)=CC(=C1)B(O)O

IUPAC: (3-bromo-5-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H8BBrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

Composition: C (36.42%), H (3.49%), B (4.68%), Br (34.61%), O (20.79%)

Molar Mass: 230.85

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.974987
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WTSXKEODVUFEMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.69
Topological Polar Surface Area	49.69
Polarizability	18.95
Ring Count	1
Rotatable Bond Count	2

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