| CAS Number | 372198-49-7 |
| Catalog Number | AG01AIHT(AGN-PC-0WAKX4) |
| Chemical Name | 5-cyano-2-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 5-cyano-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClNO2S/c1-6-2-3-7(5-10)4-8(6)13(9,11)12/h2-4H,1H3 |
| InChI Key | HDCNLHWRDPSBDB-UHFFFAOYSA-N |
| MDL Number | MFCD09741164 |
| Molecular Formula | C8H6ClNO2S |
| Molecular Weight | 215.6567 |
| SMILES | O=S(C1=CC(C#N)=CC=C1C)(Cl)=O |
| Synonyms | 5-cyano-2-methylbenzene-1-sulfonyl chloride,
372198-49-7,
5-cyano-2-methylbenzenesulfonyl chloride,
EN300-77884,
SCHEMBL3079216,
HDCNLHWRDPSBDB-UHFFFAOYSA-N,
AKOS008099601,
ZINC100633075,
BBV-035333,
FCH5485493,
MCULE-5457270032,
NE14381,
5-cyano-2-methyl-benzenesulfonylchloride,
AK00799154,
Benzenesulfonyl chloride, 5-cyano-2-methyl-,
5-cyano-2-methylbenzene-1-sulfonylchloride,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.651g/mol |
| Monoisotopic Mass | 214.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number