| CAS Number | 1261644-49-8 |
| Catalog Number | AG01BTI3 |
| Chemical Name | 3-Cyano-5-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-cyano-5-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H |
| InChI Key | ZQEROTOETXELJU-UHFFFAOYSA-N |
| MDL Number | MFCD18394025 |
| Molecular Formula | C7H3ClFNO2S |
| Molecular Weight | 219.6206 |
| SMILES | O=S(C1=CC(F)=CC(C#N)=C1)(Cl)=O |
| Synonyms | 3-CYANO-5-FLUOROBENZENE-1-SULFONYL CHLORIDE,
1261644-49-8,
SCHEMBL16235968,
ZQEROTOETXELJU-UHFFFAOYSA-N,
AKOS006336644,
ZINC103600058,
AB75584,
3-CYANO-5-FLUOROBENZENESULFONYL CHLORIDE,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.614g/mol |
| Monoisotopic Mass | 218.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number