| CAS Number | 170928-54-8 |
| Catalog Number | AG01B8QK(AGN-PC-0235WG) |
| Chemical Name | 2,4-Dimethyl-3-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2,4-dimethyl-3-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-5-3-4-7(15(9,13)14)6(2)8(5)10(11)12/h3-4H,1-2H3 |
| InChI Key | YDIBDPUZGPJXMX-UHFFFAOYSA-N |
| MDL Number | MFCD00036069 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC1=C([N+]([O-])=O)C(C)=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 2,4-dimethyl-3-nitrobenzene-1-sulfonyl chloride,
170928-54-8,
SCHEMBL9350117,
AKOS006336301,
ZINC104549484,
2,4-Dimethyl-3-nitrobenzenesulfonyl chloride,
|
| 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