| CAS Number | 61566-59-4 |
| Catalog Number | AG01DWJG(AGN-PC-072IIO) |
| Chemical Name | 4-amino-2-bromobenzoic acid hydrochloride |
| IUPAC Name | 4-amino-2-bromobenzoic acid;hydrochloride |
| InChI | InChI=1S/C7H6BrNO2.ClH/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3H,9H2,(H,10,11);1H |
| InChI Key | YCRVYJYVSUDRNC-UHFFFAOYSA-N |
| MDL Number | MFCD12913562 |
| Molecular Formula | C7H7BrClNO2 |
| Molecular Weight | 252.4930 |
| SMILES | Cl.NC1=CC(Br)=C(C(O)=O)C=C1 |
| Synonyms | 4-Amino-2-bromobenzoic acid hydrochloride,
61566-59-4,
CHEMBL3278355,
TL80090655,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.492g/mol |
| Monoisotopic Mass | 250.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number