| CAS Number | 1263179-09-4 |
| Catalog Number | AG01BB87(AGN-PC-0WOLU2) |
| Chemical Name | 4-(Difluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(difluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4,7H |
| InChI Key | MRZWOBNQYQXAIR-UHFFFAOYSA-N |
| MDL Number | MFCD18791572 |
| Molecular Formula | C7H5ClF2O2S |
| Molecular Weight | 226.6282 |
| SMILES | FC(C1=CC=C(C=C1)S(=O)(=O)Cl)F |
| Synonyms | 1263179-09-4,
4-(difluoromethyl)benzene-1-sulfonyl chloride,
4-(Difluoromethyl)benzenesulfonyl Chloride,
SCHEMBL17463073,
ZINC107267726,
SC-67267,
SY041200,
MFCD18791572 (95%),
4-DIFLUOROMETHYL-BENZENESULFONYL CHLORIDE,
4-(difluoromethyl)benzene-1-sulfonylchloride,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.622g/mol |
| Monoisotopic Mass | 225.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number