| CAS Number | 334952-01-1 |
| Catalog Number | AG00I6LD(AGN-PC-044CF8) |
| Chemical Name | N-methyl-N-(4-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-methyl-N-(4-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H10N2O4S/c1-9(15(2,13)14)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3 |
| InChI Key | UZLYICXAFAPAIF-UHFFFAOYSA-N |
| MDL Number | MFCD25962440 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | [O-][N+](=O)c1ccc(cc1)N(S(=O)(=O)C)C |
| Synonyms | N-methyl-N-(4-nitrophenyl)methanesulfonamide,
334952-01-1,
SCHEMBL1917327,
UZLYICXAFAPAIF-UHFFFAOYSA-N,
ZINC117520814,
DA-42765,
FT-0761156,
N-methyl-N-(4-nitro-phenyl)-methanesulfonamide,
Methanesulfonamide, N-methyl-N-(4-nitrophenyl)-,
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| Complexity | 322 |
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number