| CAS Number | 23454-12-8 |
| Catalog Number | AG01B3G7 |
| Chemical Name | 5-Chloro-2-methyl-4-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-chloro-2-methyl-4-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl2NO4S/c1-4-2-6(10(11)12)5(8)3-7(4)15(9,13)14/h2-3H,1H3 |
| InChI Key | VSMHZEIYUAWJMB-UHFFFAOYSA-N |
| MDL Number | MFCD24229430 |
| Molecular Formula | C7H5Cl2NO4S |
| Molecular Weight | 270.0899 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(Cl)C([N+]([O-])=O)=C1 |
| Synonyms | 23454-12-8,
5-chloro-2-methyl-4-nitrobenzene-1-sulfonyl chloride,
5-Chloro-2-methyl-4-nitrobenzenesulfonyl chloride,
SCHEMBL19045951,
MFCD24229430,
ZINC158734765,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.08g/mol |
| Monoisotopic Mass | 268.932g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number