| CAS Number | 90007-79-7 |
| Catalog Number | AG00IFYI(AGN-PC-00M0LL) |
| Chemical Name | N-Methyl-N-(2-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-methyl-N-(2-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H10N2O4S/c1-9(15(2,13)14)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3 |
| InChI Key | MXWUQRNCQCAURO-UHFFFAOYSA-N |
| MDL Number | MFCD20131811 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | [O-][N+](=O)c1ccccc1N(S(=O)(=O)C)C |
| Synonyms | N-Methyl-N-(2-nitrophenyl)methanesulfonamide,
90007-79-7,
Methanesulfonamide, N-methyl-N-(2-nitrophenyl)-,
SCHEMBL1291324,
CTK3I5585,
DTXSID30536488,
MXWUQRNCQCAURO-UHFFFAOYSA-N,
ZINC39596511,
Y6470,
C8H10N2O4S,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number