| CAS Number | 195433-52-4 |
| Catalog Number | AG00I3DT(AGN-PC-0O6K69) |
| Chemical Name | N-Ethyl-N-(2-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-ethyl-N-(2-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C9H12N2O4S/c1-3-10(16(2,14)15)8-6-4-5-7-9(8)11(12)13/h4-7H,3H2,1-2H3 |
| InChI Key | DKUPMKLBKNFBNA-UHFFFAOYSA-N |
| MDL Number | MFCD23702095 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | CCN(S(=O)(=O)C)c1ccccc1[N+](=O)[O-] |
| Synonyms | N-Ethyl-N-(2-nitrophenyl)methanesulfonamide,
195433-52-4,
ZINC87493564,
Y6108,
Methanesulfonamide, N-ethyl-N-(2-nitrophenyl)-,
C9H12N2O4S,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number