| CAS Number | 703-18-4 |
| Catalog Number | AG005VPL(AGN-PC-0MTMIH) |
| Chemical Name | Phenyl trifluoromethyl sulphoxide |
| IUPAC Name | trifluoromethylsulfinylbenzene |
| InChI | InChI=1S/C7H5F3OS/c8-7(9,10)12(11)6-4-2-1-3-5-6/h1-5H |
| InChI Key | WZAJOJWOOXXUCT-UHFFFAOYSA-N |
| MDL Number | MFCD30475661 |
| Molecular Formula | C7H5F3OS |
| Molecular Weight | 194.1742 |
| SMILES | S(=O)(C(F)(F)F)c1ccccc1 |
| Synonyms | 703-18-4,
Phenyl trifluoromethyl sulphoxide,
PHENYL TRIFLUOROMETHYL SULFOXIDE,
phenyltrifluormethylsulfoxide,
Phenyltrifluoromethyl sulfoxide,
SCHEMBL775157,
Trifluoromethylphenyl sulfoxide,
CTK2H5563,
DTXSID20430769,
WZAJOJWOOXXUCT-UHFFFAOYSA-N,
[(Trifluoromethyl)sulfinyl]benzene,
MFCD30475661,
P2460,
Trifluoromethylsulfinylbenzene,
Phenyltrifluoromethylsulphoxide,
CID9794162,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.171g/mol |
| Monoisotopic Mass | 194.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number