| CAS Number | 1254038-52-2 |
| Catalog Number | AG01ELTZ |
| Chemical Name | 1-(2-Bromo-1,1-difluoroethyl)-4-(trifluoromethyl)-benzene |
| IUPAC Name | 1-(2-bromo-1,1-difluoroethyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H6BrF5/c10-5-8(11,12)6-1-3-7(4-2-6)9(13,14)15/h1-4H,5H2 |
| InChI Key | ZAEQXWHHJYBETJ-UHFFFAOYSA-N |
| MDL Number | MFCD25976510 |
| Molecular Formula | C9H6BrF5 |
| Molecular Weight | 289.0400 |
| SMILES | FC(C1=CC=C(C(CBr)(F)F)C=C1)(F)F |
| Synonyms | 1254038-52-2,
1-(2-Bromo-1,1-difluoroethyl)-4-(trifluoromethyl)-benzene,
1-(2-bromo-1,1-difluoroethyl)-4-(trifluoromethyl)benzene,
DTXSID40856568,
ZINC95147703,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.043g/mol |
| Monoisotopic Mass | 287.957g/mol |
| Rotatable Bond Count | 2 |
| 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