| CAS Number | 1545937-52-7 |
| Catalog Number | AG01BGHO |
| Chemical Name | 3-(Cyanomethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(cyanomethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClNO2S/c9-13(11,12)8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
| InChI Key | UJVGOWVIEWCNEW-UHFFFAOYSA-N |
| MDL Number | MFCD26032775 |
| Molecular Formula | C8H6ClNO2S |
| Molecular Weight | 215.6567 |
| SMILES | ClS(C1=CC(CC#N)=CC=C1)(=O)=O |
| Synonyms | 3-(cyanomethyl)benzene-1-sulfonyl chloride,
1545937-52-7,
AKOS021594494,
ZINC100560326,
FCH5464534,
BBV-49314548,
EN300-191012,
|
| Complexity | 311 |
| 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 | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number