| CAS Number | 80074-34-6 |
| Catalog Number | AG008NOV(AGN-PC-06MYEL) |
| Chemical Name | Methyl 2-ethoxy-5-nitrobenzoate |
| IUPAC Name | methyl 2-ethoxy-5-nitrobenzoate |
| InChI | InChI=1S/C10H11NO5/c1-3-16-9-5-4-7(11(13)14)6-8(9)10(12)15-2/h4-6H,3H2,1-2H3 |
| InChI Key | ALHAOIFZKFHHAJ-UHFFFAOYSA-N |
| MDL Number | MFCD12173002 |
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.1980 |
| SMILES | CCOc1ccc(cc1C(=O)OC)[N+](=O)[O-] |
| Synonyms | methyl 2-ethoxy-5-nitrobenzoate,
80074-34-6,
Benzoic acid, 2-ethoxy-5-nitro-, methyl ester,
SCHEMBL730095,
CTK2I7678,
DTXSID50656056,
ALHAOIFZKFHHAJ-UHFFFAOYSA-N,
ZINC35333570,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.2g/mol |
| Monoisotopic Mass | 225.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number