| CAS Number | 1209966-33-5 |
| Catalog Number | AG019XAL |
| Chemical Name | 4-Bromo-2-(dimethylamino)benzoic acid hydrochloride |
| IUPAC Name | 4-bromo-2-(dimethylamino)benzoic acid;hydrochloride |
| InChI | InChI=1S/C9H10BrNO2.ClH/c1-11(2)8-5-6(10)3-4-7(8)9(12)13;/h3-5H,1-2H3,(H,12,13);1H |
| InChI Key | NYSFCALBEOOINB-UHFFFAOYSA-N |
| MDL Number | MFCD13196080 |
| Molecular Formula | C9H11BrClNO2 |
| Molecular Weight | 280.5461 |
| SMILES | O=C(O)C1=CC=C(Br)C=C1N(C)C.[H]Cl |
| Synonyms | 4-bromo-2-(dimethylamino)benzoic acid hydrochloride,
1209966-33-5,
AC1Q3BK9,
CTK5I6856,
AKOS030755581,
MCULE-3960813558,
EN300-54499,
Z1816507679,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.546g/mol |
| Monoisotopic Mass | 278.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number