| CAS Number | 37901-94-3 |
| Catalog Number | AG019EPW(AGN-PC-0JRH14) |
| Chemical Name | 4-Amino-3-methyl-5-nitrobenzoic acid |
| IUPAC Name | 4-amino-3-methyl-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H8N2O4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12) |
| InChI Key | QTGYCJNEAUXQNV-UHFFFAOYSA-N |
| MDL Number | MFCD27950153 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | C1([N+](=O)[O-])=C(C(C)=CC(=C1)C(=O)O)N |
| Synonyms | 4-amino-3-methyl-5-nitrobenzoic acid,
37901-94-3,
4-amino-3-methyl-5-nitro-benzoic acid,
AC1L9ZMH,
SCHEMBL1509549,
4-Amino-5-nitro-m-toluic acid,
QTGYCJNEAUXQNV-UHFFFAOYSA-N,
ZINC5930688,
MFCD27950153,
Benzoic acid, 4-amino-3-methyl-5-nitro-,
CS-0059769,
FT-0714490,
AIDS019478,
CID459003,
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| Complexity | 250 |
| 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 | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number