| CAS Number | 1208076-47-4 |
| Catalog Number | AG01B9VI |
| Chemical Name | 5-Chloro-2-fluorobenzenethiol |
| IUPAC Name | 5-chloro-2-fluorobenzenethiol |
| InChI | InChI=1S/C6H4ClFS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChI Key | JXSXSIGAYPVFSM-UHFFFAOYSA-N |
| MDL Number | MFCD12026160 |
| Molecular Formula | C6H4ClFS |
| Molecular Weight | 162.6124 |
| SMILES | FC1=C(S)C=C(Cl)C=C1 |
| Synonyms | 5-Chloro-2-fluorobenzenethiol,
1208076-47-4,
5-chloro-2-fluorobenzene-1-thiol,
SCHEMBL15351517,
ZINC36533025,
AKOS006316401,
Z1741968775,
|
| 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