| CAS Number | 13541-18-9 |
| Catalog Number | AG01AHE2 |
| Chemical Name | 1-(4-Bromophenyl)-3,3,3-trifluoropropan-1-one |
| IUPAC Name | 1-(4-bromophenyl)-3,3,3-trifluoropropan-1-one |
| InChI | InChI=1S/C9H6BrF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2 |
| InChI Key | ZIDCPZHLCKPYGO-UHFFFAOYSA-N |
| MDL Number | MFCD11210637 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | FC(CC(C1=CC=C(Br)C=C1)=O)(F)F |
| Synonyms | 1-(4-bromophenyl)-3,3,3-trifluoropropan-1-one,
13541-18-9,
4-Bromo-2-(trifluoromethyl)acetophenone,
ZINC36941782,
AKOS009339925,
MCULE-4875171930,
NE15132,
EN300-74413,
4'-Bromo-beta,beta,beta-trifluoropropiophenone,
Z1258992573,
1197231-94-9,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.045g/mol |
| Monoisotopic Mass | 265.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number