| CAS Number | 18904-34-2 |
| Catalog Number | AG01FCTB(AGN-PC-002YKZ) |
| Chemical Name | 4-Chloro-2-(trifluoromethyl)benzenethiol |
| IUPAC Name | 4-chloro-2-(trifluoromethyl)benzenethiol |
| InChI | InChI=1S/C7H4ClF3S/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H |
| InChI Key | GKSJQTNCPAVEEG-UHFFFAOYSA-N |
| MDL Number | MFCD12026130 |
| Molecular Formula | C7H4ClF3S |
| Molecular Weight | 212.6199 |
| SMILES | Clc1ccc(c(c1)C(F)(F)F)S |
| Synonyms | 18904-34-2,
4-Chloro-2-trifluoromethylbenzenethiol,
4-Chloro-2-(trifluoromethyl)benzenethiol,
SCHEMBL8995453,
ZINC34406599,
AKOS027385787,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.614g/mol |
| Monoisotopic Mass | 211.967g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number