| CAS Number | 124341-38-4 |
| Catalog Number | AG00A3PQ(AGN-PC-03TEB2) |
| Chemical Name | Benzoic acid, 2-(methylamino)-3-nitro- (9CI) |
| IUPAC Name | 2-(methylamino)-3-nitrobenzoic acid |
| InChI | InChI=1S/C8H8N2O4/c1-9-7-5(8(11)12)3-2-4-6(7)10(13)14/h2-4,9H,1H3,(H,11,12) |
| InChI Key | XVZUJCYLGIJDPE-UHFFFAOYSA-N |
| MDL Number | MFCD18825890 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | CNc1c(cccc1N(=O)=O)C(=O)O |
| Synonyms | 2-(Methylamino)-3-nitrobenzoic acid,
124341-38-4,
SCHEMBL305239,
XVZUJCYLGIJDPE-UHFFFAOYSA-N,
2-methylamino-3-nitro-benzoic acid,
ZINC39084262,
AKOS027396389,
MCULE-8108048900,
NE40769,
Benzoic acid, 2-(methylamino)-3-nitro- (9CI),
Z1694636312,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number