| CAS Number | 773108-00-2 |
| Catalog Number | AG01FR4F(AGN-PC-3H5PGE) |
| Chemical Name | 2-Amino-3-bromo-5-nitrobenzoic acid |
| IUPAC Name | 2-amino-3-bromo-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5BrN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12) |
| InChI Key | MDXOSJZNEXCDOQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2O4 |
| Molecular Weight | 261.0296 |
| SMILES | O=C(O)C1=CC([N+]([O-])=O)=CC(Br)=C1N |
| Synonyms | 2-amino-3-bromo-5-nitrobenzoic acid,
773108-00-2,
SCHEMBL17873540,
SCHEMBL17883975,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.94327g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.03g/mol |
| Monoisotopic Mass | 259.94327g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number