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Home > Boronic Acids > 89598-97-0
89598-97-0 | (5-Bromo-2-hydroxyphenyl)boronic acid
CAS No: 89598-97-0 Catalog No: AG003WUL MDL No:MFCD00093408
Product Description
Catalog Number:
AG003WUL
Chemical Name:
(5-Bromo-2-hydroxyphenyl)boronic acid
CAS Number:
89598-97-0
Molecular Formula:
C6H6BBrO3
Molecular Weight:
216.8250
MDL Number:
MFCD00093408
IUPAC Name:
(5-bromo-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BBrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChI Key:
XSXTWLOHAGPBNO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)B(O)O)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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