| CAS Number | 1186195-21-0 |
| Catalog Number | AG01F9FZ(AGN-PC-0WCWBX) |
| Chemical Name | 4-Bromo-1-fluoro-2-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 4-bromo-1-fluoro-2-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H5BrF4/c9-6-1-2-7(10)5(3-6)4-8(11,12)13/h1-3H,4H2 |
| InChI Key | BGLWAVHDOTYLCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11226694 |
| Molecular Formula | C8H5BrF4 |
| Molecular Weight | 257.0229 |
| SMILES | FC(Cc1cc(Br)ccc1F)(F)F |
| Synonyms | 4-bromo-1-fluoro-2-(2,2,2-trifluoroethyl)benzene,
1186195-21-0,
BBL101030,
STL554824,
ZINC96102485,
AKOS005256208,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.026g/mol |
| Monoisotopic Mass | 255.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number