| CAS Number | 18739-03-2 |
| Catalog Number | AG01C7MQ |
| Chemical Name | 1-Bromo-3-(pentafluoroethyl)benzene |
| IUPAC Name | 1-bromo-3-(1,1,2,2,2-pentafluoroethyl)benzene |
| InChI | InChI=1S/C8H4BrF5/c9-6-3-1-2-5(4-6)7(10,11)8(12,13)14/h1-4H |
| InChI Key | VNDBRXJSZAABBZ-UHFFFAOYSA-N |
| MDL Number | MFCD24386133 |
| Molecular Formula | C8H4BrF5 |
| Molecular Weight | 275.0134 |
| SMILES | FC(C(C1=CC(Br)=CC=C1)(F)F)(F)F |
| Synonyms | 1-Bromo-3-(pentafluoroethyl)benzene,
18739-03-2,
SCHEMBL10291600,
DTXSID00711088,
MFCD24386133,
ZINC95147681,
AKOS024121981,
FCH2339648,
PC408836,
PS-11444,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.016g/mol |
| Monoisotopic Mass | 273.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number