| CAS Number | 1258652-29-7 |
| Catalog Number | AG019CMZ(AGN-PC-0WBRW7) |
| Chemical Name | (2-Cyano-4-fluorophenyl)methanesulfonyl chloride |
| IUPAC Name | (2-cyano-4-fluorophenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H5ClFNO2S/c9-14(12,13)5-6-1-2-8(10)3-7(6)4-11/h1-3H,5H2 |
| InChI Key | AYIKSOJHAKSVFH-UHFFFAOYSA-N |
| MDL Number | MFCD17977187 |
| Molecular Formula | C8H5ClFNO2S |
| Molecular Weight | 233.6472 |
| SMILES | FC1=CC(C#N)=C(CS(Cl)(=O)=O)C=C1 |
| Synonyms | (2-cyano-4-fluorophenyl)methanesulfonyl chloride,
1258652-29-7,
EN300-89823,
AC1Q4MGA,
GEO-03060,
MFCD17977187,
AKOS006334533,
ZINC100646652,
FCH2139997,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.641g/mol |
| Monoisotopic Mass | 232.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number