| CAS Number | 874814-70-7 |
| Catalog Number | AG00IEML(AGN-PC-0WAP0S) |
| Chemical Name | 2-Chloro-6-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3Cl2F3O2S/c8-5-3-1-2-4(7(10,11)12)6(5)15(9,13)14/h1-3H |
| InChI Key | CFRDWFNMFKQQBA-UHFFFAOYSA-N |
| MDL Number | MFCD06408806 |
| Molecular Formula | C7H3Cl2F3O2S |
| Molecular Weight | 279.0637 |
| SMILES | FC(C1=C(S(Cl)(=O)=O)C(Cl)=CC=C1)(F)F |
| Synonyms | 874814-70-7,
2-chloro-6-(trifluoromethyl)benzene-1-sulfonyl chloride,
2-Chloro-6-(trifluoromethyl)-benzenesulfonyl chloride,
2-CHLORO-6-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE,
SCHEMBL786275,
MFCD06408806,
ZINC59221913,
AKOS009349103,
JS-5190,
NE31140,
EN300-39545,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.054g/mol |
| Monoisotopic Mass | 277.918g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number