| CAS Number | 214778-10-6 |
| Catalog Number | AG007QC2(AGN-PC-03LMKC) |
| Chemical Name | 3-(Methylamino)-4-nitrobenzoic acid |
| IUPAC Name | 3-(methylamino)-4-nitrobenzoic acid |
| InChI | InChI=1S/C8H8N2O4/c1-9-6-4-5(8(11)12)2-3-7(6)10(13)14/h2-4,9H,1H3,(H,11,12) |
| InChI Key | QIUGFPYSYODUEE-UHFFFAOYSA-N |
| MDL Number | MFCD18826011 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | O=C(O)C1=CC=C([N+]([O-])=O)C(NC)=C1 |
| Synonyms | 3-(Methylamino)-4-nitrobenzoic acid,
214778-10-6,
ACMC-209fkx,
SCHEMBL2248642,
CTK8B1194,
DTXSID10623360,
3-methylamino-4-nitrobenzoic acid,
QIUGFPYSYODUEE-UHFFFAOYSA-N,
3-Methylamino-4-nitro-benzoic acid,
ANW-24463,
ZINC39084219,
AKOS016008376,
AJ-98101,
Benzoic acid, 3-(methylamino)-4-nitro-,
TC-113208,
FT-0707355,
V4356,
C8H8N2O4,
Benzoic acid, 3-(methylamino)-4-nitro- (9CI),
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number