| CAS Number | 1215634-37-9 |
| Catalog Number | AG00HGAF(AGN-PC-0WG3ZS) |
| Chemical Name | 2-Amino-5-bromo-3-methoxy-benzoic acid HBr salt |
| IUPAC Name | 2-amino-5-bromo-3-methoxybenzoic acid;hydrobromide |
| InChI | InChI=1S/C8H8BrNO3.BrH/c1-13-6-3-4(9)2-5(7(6)10)8(11)12;/h2-3H,10H2,1H3,(H,11,12);1H |
| InChI Key | LETZKCUPBOILJJ-UHFFFAOYSA-N |
| MDL Number | MFCD18315696 |
| Molecular Formula | C8H9Br2NO3 |
| Molecular Weight | 326.9700 |
| SMILES | COc1cc(Br)cc(c1N)C(=O)O.Br |
| Synonyms | 2-amino-5-bromo-3-methoxybenzoic acid hydrobromide,
1215634-37-9,
2-Amino-5-bromo-3-methoxy-benzoic acid HBr salt,
SCHEMBL14358987,
LETZKCUPBOILJJ-UHFFFAOYSA-N,
MFCD11656528,
CS-0038186,
2-amino-5-bromo-3-methoxybenzoic acid;hydrobromide,
864293-44-7,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.972g/mol |
| Monoisotopic Mass | 324.895g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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