| CAS Number | 62726-03-8 |
| Catalog Number | AG00IB2R(AGN-PC-0NBJF1) |
| Chemical Name | Benzamide, 2-methoxy-4-nitro- |
| IUPAC Name | 2-methoxy-4-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O4/c1-14-7-4-5(10(12)13)2-3-6(7)8(9)11/h2-4H,1H3,(H2,9,11) |
| InChI Key | RBUYIBAYLUAHRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12913504 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | COc1cc(ccc1C(=O)N)[N+](=O)[O-] |
| Synonyms | 2-Methoxy-4-nitrobenzamide,
62726-03-8,
Benzamide, 2-methoxy-4-nitro-,
SCHEMBL2983636,
CTK2B3645,
DTXSID90445688,
ZINC45957479,
AKOS005147336,
FT-0767421,
TL80090409,
2-methoxy-4-nitro-benzamide,
CID10845538,
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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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.162g/mol |
| Monoisotopic Mass | 196.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number