| CAS Number | 773853-92-2 |
| Catalog Number | AG00G4JD(AGN-PC-0WCMC5) |
| Chemical Name | 2-Bromo-4-fluorothiophenol |
| IUPAC Name | 2-bromo-4-fluorobenzenethiol |
| InChI | InChI=1S/C6H4BrFS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H |
| InChI Key | GVFIOEXUIFLGOW-UHFFFAOYSA-N |
| MDL Number | MFCD09475472 |
| Molecular Formula | C6H4BrFS |
| Molecular Weight | 207.0634 |
| SMILES | FC1=CC(Br)=C(S)C=C1 |
| Synonyms | 2-Bromo-4-fluorothiophenol,
773853-92-2,
2-bromo-4-fluorobenzenethiol,
2-bromo-4-fluoro-benzenethiol,
2-bromo-4-fluoro-thiophenol,
SCHEMBL437603,
CTK8E3812,
DTXSID10650171,
2-Bromo-4-fluorobenzene-1-thiol,
GVFIOEXUIFLGOW-UHFFFAOYSA-N,
MFCD09475472,
ZINC15442767,
AKOS030234129,
FCH1392163,
PC01516,
2-bromo-4-fluorothiophenol, AldrichCPR,
PS-11924,
RT-018919,
FT-0702694,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.06g/mol |
| Monoisotopic Mass | 205.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number