| CAS Number | 108227-52-7 |
| Catalog Number | AG0094BY(AGN-PC-0JOC4Z) |
| Chemical Name | N,4-dimethyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N,4-dimethyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C8H10N2O4S/c1-6-3-4-7(15(13,14)9-2)5-8(6)10(11)12/h3-5,9H,1-2H3 |
| InChI Key | RWLGILNBHSTSEO-UHFFFAOYSA-N |
| MDL Number | MFCD01004320 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| NSC Number | 36989 |
| SMILES | CNS(C1=CC([N+]([O-])=O)=C(C)C=C1)(=O)=O |
| Synonyms | N,4-dimethyl-3-nitrobenzenesulfonamide,
108227-52-7,
N,4-dimethyl-3-nitrobenzene-1-sulfonamide,
NSC36989,
AC1L5UK5,
SCHEMBL12067854,
ZINC4783139,
NSC-36989,
AKOS005237369,
MCULE-6244689463,
Benzenesulfonamide,N,4-dimethyl-3-nitro-,
Z7207,
K-0598,
C8H10N2O4S,
CID235517,
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| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number