| CAS Number | 13656-50-3 |
| Catalog Number | AG01FABY(AGN-PC-0WAP2Z) |
| Chemical Name | 2,5-Dichloro-4-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 2,5-dichloro-4-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2Cl3FO2S/c7-3-2-6(13(9,11)12)4(8)1-5(3)10/h1-2H |
| InChI Key | ZHXPUXCOUKXSTO-UHFFFAOYSA-N |
| MDL Number | MFCD20233376 |
| Molecular Formula | C6H2Cl3FO2S |
| Molecular Weight | 263.5013 |
| SMILES | Clc1cc(c(cc1F)Cl)S(=O)(=O)Cl |
| Synonyms | 2,5-Dichloro-4-fluorobenzenesulfonyl chloride,
13656-50-3,
SCHEMBL3948181,
ZHXPUXCOUKXSTO-UHFFFAOYSA-N,
MFCD20233376,
ZINC100553596,
Benzenesulfonyl chloride, 2,5-dichloro-4-fluoro-,
2,5-DICHLORO-4-FLUOROPHENYLSULFONYL CHLORIDE,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.488g/mol |
| Monoisotopic Mass | 261.883g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number