| CAS Number | 1420800-21-0 |
| Catalog Number | AG009WTO(AGN-PC-0WABD8) |
| Chemical Name | 5-Ethoxy-2-nitrobenzamide |
| IUPAC Name | 5-ethoxy-2-nitrobenzamide |
| InChI | InChI=1S/C9H10N2O4/c1-2-15-6-3-4-8(11(13)14)7(5-6)9(10)12/h3-5H,2H2,1H3,(H2,10,12) |
| InChI Key | BPKZNMWFVAMQFH-UHFFFAOYSA-N |
| MDL Number | MFCD22689133 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | CCOc1ccc(c(c1)C(=O)N)[N+](=O)[O-] |
| Synonyms | 5-Ethoxy-2-nitrobenzamide,
1420800-21-0,
ZINC95496071,
AKOS026673324,
V3145,
C9H10N2O4,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number