| CAS Number | 873208-62-9 |
| Catalog Number | AG019OTG |
| Chemical Name | 3,4-dimethyl-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 3,4-dimethyl-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-5-3-7(15(9,13)14)4-8(6(5)2)10(11)12/h3-4H,1-2H3 |
| InChI Key | LCWYOBCPIMJWSV-UHFFFAOYSA-N |
| MDL Number | MFCD07687268 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC1=C(C)C([N+]([O-])=O)=CC(S(Cl)(=O)=O)=C1 |
| Synonyms | 3,4-dimethyl-5-nitrobenzene-1-sulfonyl chloride,
3,4-dimethyl-5-nitrobenzenesulfonyl chloride,
873208-62-9,
AC1Q2DLC,
CTK5I2447,
AKOS000200711,
ZINC100499578,
MCULE-2532985867,
NE33950,
EN300-15174,
3,4-dimethyl-5-nitrobenzenesulfonyl chloride, AldrichCPR,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.665g/mol |
| Monoisotopic Mass | 248.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number