| CAS Number | 1208075-22-2 |
| Catalog Number | AG019YSG |
| Chemical Name | 4-Bromo-2,5-difluorobenzenethiol |
| IUPAC Name | 4-bromo-2,5-difluorobenzenethiol |
| InChI | InChI=1S/C6H3BrF2S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H |
| InChI Key | XSGKHVPYFWMQQM-UHFFFAOYSA-N |
| MDL Number | MFCD12026144 |
| Molecular Formula | C6H3BrF2S |
| Molecular Weight | 225.0538 |
| SMILES | FC1=C(S)C=C(F)C(Br)=C1 |
| Synonyms | 4-Bromo-2,5-difluorobenzenethiol,
1208075-22-2,
4-bromo-2,5-difluorobenzene-1-thiol,
SCHEMBL10059299,
ZINC36533000,
AKOS013533602,
NE50334,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.051g/mol |
| Monoisotopic Mass | 223.911g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number