| CAS Number | 349090-61-5 |
| Catalog Number | AG00CLV4(AGN-PC-0WOI2Z) |
| Chemical Name | N-ethyl-4-methyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N-ethyl-4-methyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C9H12N2O4S/c1-3-10-16(14,15)8-5-4-7(2)9(6-8)11(12)13/h4-6,10H,3H2,1-2H3 |
| InChI Key | XGIBGFQGCQVQBZ-UHFFFAOYSA-N |
| MDL Number | MFCD02859220 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | CCNS(C1=CC([N+]([O-])=O)=C(C)C=C1)(=O)=O |
| Synonyms | N-ethyl-4-methyl-3-nitrobenzenesulfonamide,
349090-61-5,
AC1MN4KT,
ZINC5591717,
AKOS005237370,
MCULE-8382968788,
V5377,
C9H12N2O4S,
CID3271466,
N-ethyl-4-methyl-3-nitro-benzenesulfonamide,
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| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number