| CAS Number | 71474-35-6 |
| Catalog Number | AG01B1JW |
| Chemical Name | 2,4-Dimethyl-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2,4-dimethyl-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClNO4S/c1-5-3-6(2)8(15(9,13)14)4-7(5)10(11)12/h3-4H,1-2H3 |
| InChI Key | WQYQATRTLGVNEA-UHFFFAOYSA-N |
| MDL Number | MFCD19200208 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CC1=C([N+]([O-])=O)C=C(S(Cl)(=O)=O)C(C)=C1 |
| Synonyms | 71474-35-6,
2,4-dimethyl-5-nitrobenzene-1-sulfonyl chloride,
2,4-dimethyl-5-nitro-benzenesulfonyl chloride,
SCHEMBL11443821,
AKOS006335129,
ZINC100544116,
NE16442,
2,4-dimethyl-5-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