| CAS Number | 73129-12-1 |
| Catalog Number | AG01BKJS(AGN-PC-0NJ92J) |
| Chemical Name | 4-Chloro-2-fluorobenzene-1-thiol |
| IUPAC Name | 4-chloro-2-fluorobenzenethiol |
| InChI | InChI=1S/C6H4ClFS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChI Key | PDYQPWASCIGBCP-UHFFFAOYSA-N |
| MDL Number | MFCD12026159 |
| Molecular Formula | C6H4ClFS |
| Molecular Weight | 162.6124 |
| SMILES | FC1=C(S)C=CC(Cl)=C1 |
| Synonyms | 4-Chloro-2-fluorobenzenethiol,
73129-12-1,
4-Chloro-2-fluorothiophenol,
SCHEMBL5774991,
Benzenethiol,4-chloro-2-fluoro-,
MFCD12026159,
ZINC36533021,
AKOS005216806,
FT-0704011,
|
| 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