| CAS Number | 1258651-01-2 |
| Catalog Number | AG019RJ9 |
| Chemical Name | (5-Cyano-2-fluorophenyl)methanesulfonyl chloride |
| IUPAC Name | (5-cyano-2-fluorophenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H5ClFNO2S/c9-14(12,13)5-7-3-6(4-11)1-2-8(7)10/h1-3H,5H2 |
| InChI Key | SGLVRWRAFSIMBA-UHFFFAOYSA-N |
| MDL Number | MFCD17977191 |
| Molecular Formula | C8H5ClFNO2S |
| Molecular Weight | 233.6472 |
| SMILES | FC1=C(CS(Cl)(=O)=O)C=C(C#N)C=C1 |
| Synonyms | (5-cyano-2-fluorophenyl)methanesulfonyl chloride,
EN300-89827,
1258651-01-2,
AC1Q4MCC,
SCHEMBL16235171,
SGLVRWRAFSIMBA-UHFFFAOYSA-N,
AKOS006334535,
ZINC100646654,
FCH2139999,
NE44228,
BBV-38364482,
|
| 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