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Home > Boronic Acids > 89488-24-4
89488-24-4 | Benzeneboronic acid,3-bromo-2-hydroxy- (7CI)
CAS No: 89488-24-4 Catalog No: AG0041WH MDL No:
Product Description
Catalog Number:
AG0041WH
Chemical Name:
Benzeneboronic acid,3-bromo-2-hydroxy- (7CI)
CAS Number:
89488-24-4
Molecular Formula:
C6H6BBrO3
Molecular Weight:
216.8250
IUPAC Name:
(3-bromo-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BBrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9-11H
InChI Key:
WILLYOUMVYALAT-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1O)Br)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.825g/mol
Monoisotopic Mass:
215.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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