| CAS Number | 70783-74-3 |
| Catalog Number | AG01CA5D(AGN-PC-00M26B) |
| Chemical Name | 2-Chloro-4-[(trifluoromethyl)thio]phenol
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| IUPAC Name | 2-chloro-4-(trifluoromethylsulfanyl)phenol |
| InChI | InChI=1S/C7H4ClF3OS/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3,12H |
| InChI Key | OHGJQHWYVINODI-UHFFFAOYSA-N |
| MDL Number | MFCD25966444 |
| Molecular Formula | C7H4ClF3OS |
| Molecular Weight | 228.6193 |
| SMILES | S(C(F)(F)F)c1cc(Cl)c(O)cc1 |
| Synonyms | 2-chloro-4-((trifluoromethyl)thio)phenol,
70783-74-3,
2-chloro-4-(trifluoromethylthio)phenol,
SCHEMBL4457225,
CTK2H4454,
DTXSID50536869,
AKOS034086528,
2-Chloro-4-[(trifluoromethyl)sulfanyl]phenol,
Phenol, 2-chloro-4-[(trifluoromethyl)thio]-,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.613g/mol |
| Monoisotopic Mass | 227.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number