| CAS Number | 173908-60-6 |
| Catalog Number | AG01EB5K(AGN-PC-0AM126) |
| Chemical Name | 5-Methyl-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-methyl-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)7(4-5)14(8,12)13/h2-4H,1H3 |
| InChI Key | BMYVMTZPQQYAJR-UHFFFAOYSA-N |
| MDL Number | MFCD18399651 |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.6448 |
| SMILES | O=S(C1=CC(C)=CC=C1[N+]([O-])=O)(Cl)=O |
| Synonyms | 2-nitro-5-methylbenzenesulfonyl chloride,
173908-60-6,
SCHEMBL139871,
BMYVMTZPQQYAJR-UHFFFAOYSA-N,
AKOS006334841,
5-methyl-2-nitro-benzenesulfonyl chloride,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.638g/mol |
| Monoisotopic Mass | 234.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number