| CAS Number | 290366-59-5 |
| Catalog Number | AG00BW95(AGN-PC-0WRAF5) |
| Chemical Name | 2-Methyl-3-nitrobenzamide |
| IUPAC Name | 2-methyl-3-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O3/c1-5-6(8(9)11)3-2-4-7(5)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChI Key | RRDXGSJTLUNXHN-UHFFFAOYSA-N |
| MDL Number | MFCD00463807 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | NC(=O)c1cccc(c1C)[N+](=O)[O-] |
| Synonyms | 2-methyl-3-nitrobenzamide,
290366-59-5,
2-methyl-3-nitro-benzoic acid amide,
AC1MYEJZ,
AC1Q2ERP,
Oprea1_644626,
SCHEMBL1805930,
CTK7D2732,
RRDXGSJTLUNXHN-UHFFFAOYSA-N,
ZINC4013983,
STK395627,
AKOS003206800,
MCULE-4532729865,
NE37540,
AJ-47671,
ST51015771,
EN300-61115,
Z33546929,
ZINC04013983,
CID3830592,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.163g/mol |
| Monoisotopic Mass | 180.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number