| CAS Number | 41994-92-7 |
| Catalog Number | AG00CHQ1(AGN-PC-0WOIDB) |
| Chemical Name | 5-Methoxy-2-nitrobenzamide |
| IUPAC Name | 5-methoxy-2-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O4/c1-14-5-2-3-7(10(12)13)6(4-5)8(9)11/h2-4H,1H3,(H2,9,11) |
| InChI Key | DUADCWAGDHAQRI-UHFFFAOYSA-N |
| MDL Number | MFCD07780729 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | COc1ccc(c(c1)C(=O)N)[N+](=O)[O-] |
| Synonyms | 5-methoxy-2-nitrobenzamide,
41994-92-7,
SCHEMBL404510,
CHEMBL450001,
Benzamide, 5-methoxy-2-nitro-,
CTK7A0546,
DUADCWAGDHAQRI-UHFFFAOYSA-N,
ZINC28278672,
AS01001,
CJ-17674,
V5871,
C8H8N2O4,
|
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number