| CAS Number | 838840-90-7 |
| Catalog Number | AG019KZU |
| Chemical Name | 4,5-Dimethyl-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 4,5-dimethyl-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-5-3-7(10(11)12)8(4-6(5)2)15(9,13)14/h3-4H,1-2H3 |
| InChI Key | NKGRHPNUVQGZST-UHFFFAOYSA-N |
| MDL Number | MFCD08443345 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC1=C(C)C=C(S(Cl)(=O)=O)C([N+]([O-])=O)=C1 |
| Synonyms | 4,5-dimethyl-2-nitrobenzene-1-sulfonyl chloride,
4,5-dimethyl-2-nitrobenzenesulfonyl chloride,
838840-90-7,
AC1Q2DS0,
CTK6B4075,
AKOS000126468,
ZINC100502672,
NE34989,
EN300-29200,
|
| 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