| CAS Number | 2096339-36-3 |
| Catalog Number | AG01EHJD |
| Chemical Name | 3-Amino-4-Bromophenylboronic acid, HCl |
| IUPAC Name | (3-amino-4-bromophenyl)boronic acid;hydrochloride |
| InChI | InChI=1S/C6H7BBrNO2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3,10-11H,9H2;1H |
| InChI Key | XSFJIXANNRLRAR-UHFFFAOYSA-N |
| MDL Number | MFCD22205749 |
| Molecular Formula | C6H8BBrClNO2 |
| Molecular Weight | 252.3012 |
| SMILES | OB(c1ccc(c(c1)N)Br)O.Cl |
| Synonyms | 2096339-36-3,
(3-Amino-4-bromophenyl)boronic acid hydrochloride,
MFCD22205749,
3-Amino-4-Bromophenylboronic acid, HCl,
3-Amino-4-bromophenylboronic acid hydrochloride,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.299g/mol |
| Monoisotopic Mass | 250.952g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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