| CAS Number | 268566-21-8 |
| Catalog Number | AG00I52Q(AGN-PC-0O8GLZ) |
| Chemical Name | 2-amino-6-bromobenzoic acid HCl |
| IUPAC Name | 2-amino-6-bromobenzoic acid;hydrochloride |
| InChI | InChI=1S/C7H6BrNO2.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,9H2,(H,10,11);1H |
| InChI Key | DFGBDUKABFDVOB-UHFFFAOYSA-N |
| MDL Number | MFCD26548131 |
| Molecular Formula | C7H7BrClNO2 |
| Molecular Weight | 252.4930 |
| SMILES | Cl.NC1=C(C(=O)O)C(=CC=C1)Br |
| Synonyms | 2-amino-6-bromobenzoic acid HCl,
268566-21-8,
|
| 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 |
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Certificate of Analysis
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