| CAS Number | 861560-71-6 |
| Catalog Number | AG019N9F |
| Chemical Name | 3-Chloro-4-methyl-5-nitrobenzenesulfonamide |
| IUPAC Name | 3-chloro-4-methyl-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C7H7ClN2O4S/c1-4-6(8)2-5(15(9,13)14)3-7(4)10(11)12/h2-3H,1H3,(H2,9,13,14) |
| InChI Key | ZFOQSWIUBPNRMO-UHFFFAOYSA-N |
| MDL Number | MFCD09735405 |
| Molecular Formula | C7H7ClN2O4S |
| Molecular Weight | 250.6595 |
| SMILES | CC1=C([N+]([O-])=O)C=C(S(N)(=O)=O)C=C1Cl |
| Synonyms | 3-chloro-4-methyl-5-nitrobenzene-1-sulfonamide,
3-chloro-4-methyl-5-nitrobenzenesulfonamide,
861560-71-6,
AC1PDFGZ,
AC1Q2EEP,
CTK5I2449,
ZINC7668169,
AKOS000143057,
MCULE-3327239593,
NE19764,
EN300-39744,
Z89336669,
ZINC07668169,
CID8778228,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.653g/mol |
| Monoisotopic Mass | 249.982g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number