| CAS Number | 942035-77-0 |
| Catalog Number | AG00GVLN(AGN-PC-0WCD10) |
| Chemical Name | 4-Chloro-3-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-chloro-3-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3Cl2FO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H |
| InChI Key | RFNFVLMVKPVCRW-UHFFFAOYSA-N |
| MDL Number | MFCD09859891 |
| Molecular Formula | C6H3Cl2FO2S |
| Molecular Weight | 229.0562 |
| SMILES | ClC1=C(C=C(C=C1)S(=O)(=O)Cl)F |
| Synonyms | 4-Chloro-3-fluorobenzenesulfonyl chloride,
942035-77-0,
4-Chloro-3-fluorobenzene-1-sulfonyl chloride,
4-Chloro-3-fluoro-benzenesulfonyl chloride,
SCHEMBL1940923,
CTK6H1215,
DTXSID10656193,
RFNFVLMVKPVCRW-UHFFFAOYSA-N,
3861AF,
MFCD09859891,
SBB097382,
ZINC59338621,
chloro(4-chloro-3-fluorophenyl)sulfone,
VS-0349,
C6H3Cl2FO2S,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.046g/mol |
| Monoisotopic Mass | 227.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number