2-bromo-6-chloro-3-methoxyphenylboronic acid

2-bromo-6-chloro-3-methoxyphenylboronic acid

CAS: 957062-90-7

Formula: C7H7BBrClO3

SMILES: COC1=C(Br)C(B(O)O)=C(Cl)C=C1

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

InChI: InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(10)6(7(5)9)8(11)12/h2-3,11-12H,1H3

Composition: C (31.69%), H (2.66%), B (4.07%), Br (30.12%), Cl (13.36%), O (18.09%)

Molar Mass: 265.29

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.936015
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PEEJEHWBRGQIAD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.49
Topological Polar Surface Area	49.69
Polarizability	20.94
Ring Count	1
Rotatable Bond Count	2

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