| CAS Number | 89488-24-4 |
| Catalog Number | AG0041WH(AGN-PC-0VP4OR) |
| Chemical Name | Benzeneboronic acid,3-bromo-2-hydroxy- (7CI) |
| 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 |
| MDL Number | MFCD11052614 |
| Molecular Formula | C6H6BBrO3 |
| Molecular Weight | 216.8250 |
| SMILES | OB(c1cccc(c1O)Br)O |
| Synonyms | 3-BROMO-2-HYDROXYPHENYL BORONIC ACID,
89488-24-4,
Benzeneboronic acid,3-bromo-2-hydroxy- (7CI),
(3-bromo-2-hydroxyphenyl)boronic acid,
ACMC-20exzp,
SCHEMBL3697249,
CTK5G3189,
DTXSID30620053,
ZINC196721238,
CB-4081,
LS10991,
3-BROMO-2-HYDROXYPHENYLBORONIC ACID,
C-2218,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number