| CAS Number | 1121585-29-2 |
| Catalog Number | AG008Y03 |
| Chemical Name | 3-Chloro-2-fluorobenzenethiol |
| IUPAC Name | 3-chloro-2-fluorobenzenethiol |
| InChI | InChI=1S/C6H4ClFS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H |
| InChI Key | WCHYILNTRVGWBN-UHFFFAOYSA-N |
| MDL Number | MFCD12026158 |
| Molecular Formula | C6H4ClFS |
| Molecular Weight | 162.6124 |
| SMILES | SC1=CC=CC(Cl)=C1F |
| Synonyms | 3-Chloro-2-fluorobenzenethiol,
1121585-29-2,
SCHEMBL944693,
3-chloro-2-fluoro-benzenethiol,
CTK7B7904,
DTXSID20679237,
3-Chloro-2-fluorobenzene-1-thiol,
ZINC36533019,
3-CHLORO-2-FLUORO THIOPHENOL,
AKOS006316400,
QC-7376,
AN-25806,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.606g/mol |
| Monoisotopic Mass | 161.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number