| CAS Number | 731779-91-2 |
| Catalog Number | AG00ICD8(AGN-PC-0L03CP) |
| Chemical Name | (3-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride |
| IUPAC Name | 3-[4-(trifluoromethyl)phenyl]benzenesulfonyl chloride |
| InChI | InChI=1S/C13H8ClF3O2S/c14-20(18,19)12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15,16)17/h1-8H |
| InChI Key | IWCFSHVDCMFYJU-UHFFFAOYSA-N |
| MDL Number | MFCD01631887 |
| Molecular Formula | C13H8ClF3O2S |
| Molecular Weight | 320.7146 |
| SMILES | FC(C1=CC=C(C2=CC(S(Cl)(=O)=O)=CC=C2)C=C1)(F)F |
| Synonyms | 731779-91-2,
(3-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride,
4'-(trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl chloride,
4'-(Trifluoromethyl)biphenyl-3-sulfonyl chloride,
{3-[4-(TRIFLUOROMETHYL)PHENYL]PHENYL}SULFONYL CHLORIDE,
AC1MXEY1,
3-[4-(trifluoromethyl)phenyl]benzenesulfonyl Chloride,
SCHEMBL9996829,
CTK7B6641,
IWCFSHVDCMFYJU-UHFFFAOYSA-N,
3PNS-Q07-0,
4261AH,
MFCD01631887,
AKOS004116062,
ZINC100426507,
A-8967,
F9995-2565,
C13H8ClF3O2S,
CID3789336,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.71g/mol |
| Monoisotopic Mass | 319.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number