| CAS Number | 124341-37-3 |
| Catalog Number | AG00A3TG(AGN-PC-0O0P21) |
| Chemical Name | 3-(Methylamino)-2-nitrobenzoic acid |
| IUPAC Name | 3-(methylamino)-2-nitrobenzoic acid |
| InChI | InChI=1S/C8H8N2O4/c1-9-6-4-2-3-5(8(11)12)7(6)10(13)14/h2-4,9H,1H3,(H,11,12) |
| InChI Key | HBPWEPWMMRSMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD18826010 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | CNc1cccc(c1[N+](=O)[O-])C(=O)O |
| Synonyms | 3-(Methylamino)-2-nitrobenzoic acid,
124341-37-3,
3-Methylamino-2-nitro-benzoic acid,
SCHEMBL14743197,
MFCD18826010,
ZINC37594045,
AKOS017413620,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.162g/mol |
| Monoisotopic Mass | 196.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.2A^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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