| CAS Number | 1261582-58-4 |
| Catalog Number | AG009YXR(AGN-PC-0WNPML) |
| Chemical Name | Benzenesulfonyl chloride, 3-cyano-4-methyl- |
| IUPAC Name | 3-cyano-4-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClNO2S/c1-6-2-3-8(13(9,11)12)4-7(6)5-10/h2-4H,1H3 |
| InChI Key | XEKZJZSKGFKEJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18394320 |
| Molecular Formula | C8H6ClNO2S |
| Molecular Weight | 215.6567 |
| SMILES | S(=O)(=O)(Cl)c1cc(C#N)c(cc1)C |
| Synonyms | 1261582-58-4,
3-Cyano-4-methylbenzene-1-sulfonyl chloride,
3-Cyano-4-methylbenzenesulfonyl chloride,
MFCD18394320,
AKOS006333726,
ZINC100554263,
AS-41029,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number