| CAS Number | 1208075-39-1 |
| Catalog Number | AG01BKJX |
| Chemical Name | 2-chloro-6-fluorobenzene-1-thiol |
| IUPAC Name | 2-chloro-6-fluorobenzenethiol |
| InChI | InChI=1S/C6H4ClFS/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
| InChI Key | BNFQVQFCVBEQGK-UHFFFAOYSA-N |
| MDL Number | MFCD00042208 |
| Molecular Formula | C6H4ClFS |
| Molecular Weight | 162.6124 |
| SMILES | C1=CC(=C(C(=C1)F)S)Cl |
| Synonyms | 2-Chloro-6-fluorobenzenethiol,
1208075-39-1,
SCHEMBL15352112,
DTXSID00679235,
2-Chloro-6-fluorobenzene-1-thiol,
ZINC36533017,
AKOS006275359,
|
| 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