| CAS Number | 942199-59-9 |
| Catalog Number | AG019K4G |
| Chemical Name | 4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-cyano-3-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H3ClF3NO2S/c9-16(14,15)6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H |
| InChI Key | YKHLEJBYHQQAMZ-UHFFFAOYSA-N |
| MDL Number | MFCD16041567 |
| Molecular Formula | C8H3ClF3NO2S |
| Molecular Weight | 269.6281 |
| SMILES | FC(C1=C(C#N)C=CC(S(Cl)(=O)=O)=C1)(F)F |
| Synonyms | 4-cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride,
942199-59-9,
EN300-25504,
4-Cyano-3-trifluoromethyl-benzenesulfonyl chloride,
4-Cyano-3-trifluoromethylbenzenesulfonyl chloride,
SCHEMBL1762353,
YKHLEJBYHQQAMZ-UHFFFAOYSA-N,
MFCD16041567,
AKOS009099125,
ZINC100154013,
NE35074,
AK128862,
4-cyano-3-(trifluoromethyl)benzenesulfonyl chloride,
1016701-95-3,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.622g/mol |
| Monoisotopic Mass | 268.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number