| CAS Number | 89642-24-0 |
| Catalog Number | AG00IFSE(AGN-PC-0WRA7K) |
| Chemical Name | 2-Amino-5-bromo-4-nitro-benzoic acid |
| IUPAC Name | 2-amino-5-bromo-4-nitrobenzoic acid |
| InChI | InChI=1S/C7H5BrN2O4/c8-4-1-3(7(11)12)5(9)2-6(4)10(13)14/h1-2H,9H2,(H,11,12) |
| InChI Key | SZJSDVMUPOFTCD-UHFFFAOYSA-N |
| MDL Number | MFCD00156965 |
| Molecular Formula | C7H5BrN2O4 |
| Molecular Weight | 261.0296 |
| SMILES | c1c(c(cc(c1Br)N(=O)=O)N)C(=O)O |
| Synonyms | 2-Amino-5-bromo-4-nitro-benzoic acid,
89642-24-0,
2-amino-5-bromo-4-nitrobenzoic acid,
SCHEMBL7826011,
Z-9251,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.031g/mol |
| Monoisotopic Mass | 259.943g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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