| CAS Number | 1250680-75-1 |
| Catalog Number | AG01AG3G |
| Chemical Name | 3-(Difluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(difluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,7H |
| InChI Key | VPMCMNLJRWHISM-UHFFFAOYSA-N |
| MDL Number | MFCD16830987 |
| Molecular Formula | C7H5ClF2O2S |
| Molecular Weight | 226.6282 |
| SMILES | FC(C1=CC(S(Cl)(=O)=O)=CC=C1)F |
| Synonyms | 3-(difluoromethyl)benzene-1-sulfonyl chloride,
1250680-75-1,
3-(difluoromethyl)benzenesulfonyl chloride,
SCHEMBL18600897,
AKOS011924879,
ZINC100503402,
NE47632,
|
| Complexity | 260 |
| 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