| CAS Number | 20776-66-3 |
| Catalog Number | AG01AIGO(AGN-PC-0NJTLH) |
| Chemical Name | 2-Amino-3,6-dibromobenzoic acid |
| IUPAC Name | 2-amino-3,6-dibromobenzoic acid |
| InChI | InChI=1S/C7H5Br2NO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | SQZPTOHJOFPPLZ-UHFFFAOYSA-N |
| MDL Number | MFCD01851371 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | NC1=C(C(O)=O)C(Br)=CC=C1Br |
| Synonyms | 2-amino-3,6-dibromobenzoic acid,
20776-66-3,
SCHEMBL15713616,
ZINC5588979,
AKOS008149852,
MCULE-7346336406,
NE27805,
EN300-77747,
Z1259339956,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.93g/mol |
| Monoisotopic Mass | 292.869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number