| CAS Number | 23530-42-9 |
| Catalog Number | AG002NLJ(AGN-PC-0L6AF7) |
| Chemical Name | N-Isopropyl-2-nitrobenzenesulphonamide |
| IUPAC Name | 2-nitro-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C9H12N2O4S/c1-7(2)10-16(14,15)9-6-4-3-5-8(9)11(12)13/h3-7,10H,1-2H3 |
| InChI Key | AGNODYCWEZDMHI-UHFFFAOYSA-N |
| MDL Number | MFCD00514604 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | C(C)(C)NS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] |
| Synonyms | N-isopropyl-2-nitrobenzenesulfonamide,
23530-42-9,
N-Isopropyl-2-nitrobenzenesulphonamide,
Benzenesulfonamide, N-(1-methylethyl)-2-nitro-,
N-(1-methylethyl)-2-nitrobenzenesulfonamide,
AC1N4F1A,
SCHEMBL1027277,
CTK1A1232,
DTXSID60400007,
AGNODYCWEZDMHI-UHFFFAOYSA-N,
ZINC3075297,
MFCD00514604,
AKOS003041574,
N-isopropyl-2-nitro-benzenesulfonamide,
2-nitro-N-propan-2-ylbenzenesulfonamide,
DA-43118,
FT-0731555,
2-nitro-N-(propan-2-yl)benzene-1-sulfonamide,
CID4154456,
2-nitro-N-propan-2-yl-benzenesulfonamide,
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| Complexity | 342 |
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number