| CAS Number | 60877-19-2 |
| Catalog Number | AG01EWMW(AGN-PC-0WCWE2) |
| Chemical Name | 2-Bromo-5-(trifluoromethyl)benzenethiol |
| IUPAC Name | 2-bromo-5-(trifluoromethyl)benzenethiol |
| InChI | InChI=1S/C7H4BrF3S/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H |
| InChI Key | ZXVCDJUEVOLNEV-UHFFFAOYSA-N |
| MDL Number | MFCD12026126 |
| Molecular Formula | C7H4BrF3S |
| Molecular Weight | 257.0709 |
| SMILES | FC(C1=CC(S)=C(Br)C=C1)(F)F |
| Synonyms | 2-Bromo-5-trifluoromethylbenzenethiol,
60877-19-2,
2-bromo-5-(trifluoromethyl)benzenethiol,
SCHEMBL17158464,
ZXVCDJUEVOLNEV-UHFFFAOYSA-N,
MFCD12026126,
ZINC36532975,
AKOS027385785,
2-Bromo-5-trifluoromethyl-benzenethiol,
FS-6174,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.068g/mol |
| Monoisotopic Mass | 255.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number