| CAS Number | 321596-25-2 |
| Catalog Number | AG01C0LR(AGN-PC-0WCMC2) |
| Chemical Name | 5-Bromo-2-fluorobenzenethiol |
| IUPAC Name | 5-bromo-2-fluorobenzenethiol |
| InChI | InChI=1S/C6H4BrFS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChI Key | SHSYFORYQKPNSF-UHFFFAOYSA-N |
| MDL Number | MFCD12026147 |
| Molecular Formula | C6H4BrFS |
| Molecular Weight | 207.0634 |
| SMILES | FC1=C(S)C=C(Br)C=C1 |
| Synonyms | 5-Bromo-2-fluorobenzenethiol,
321596-25-2,
5-Bromo-2-fluoro-benzenethiol,
SCHEMBL6753408,
5-bromo-2-fluorobenzene-1-thiol,
SHSYFORYQKPNSF-UHFFFAOYSA-N,
MFCD12026147,
ZINC36533004,
FCH1409310,
FS-6514,
PC01515,
|
| 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