| CAS Number | 179687-05-9 |
| Catalog Number | AG01DVUL |
| Chemical Name | 2-chloro-N-methoxy-N-methyl-4-nitrobenzamide |
| IUPAC Name | 2-chloro-N-methoxy-N-methyl-4-nitrobenzamide |
| InChI | InChI=1S/C9H9ClN2O4/c1-11(16-2)9(13)7-4-3-6(12(14)15)5-8(7)10/h3-5H,1-2H3 |
| InChI Key | JGXRAVBGXIZHEA-UHFFFAOYSA-N |
| MDL Number | MFCD14582950 |
| Molecular Formula | C9H9ClN2O4 |
| Molecular Weight | 244.6318 |
| SMILES | CON(C(C1=C(Cl)C=C([N+]([O-])=O)C=C1)=O)C |
| Synonyms | 2-chloro-N-methoxy-N-methyl-4-nitrobenzamide,
SCHEMBL7075683,
JGXRAVBGXIZHEA-UHFFFAOYSA-N,
ZINC70153371,
AKOS008916992,
179687-05-9,
N-methoxy-N-methyl-2-chloro-4-nitrobenzamide,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.631g/mol |
| Monoisotopic Mass | 244.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number