| CAS Number | 1251389-42-0 |
| Catalog Number | AG01BGRZ |
| Chemical Name | 1-(4-Bromo-2-(trifluoromethyl)phenyl)propan-1-one |
| IUPAC Name | 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C10H8BrF3O/c1-2-9(15)7-4-3-6(11)5-8(7)10(12,13)14/h3-5H,2H2,1H3 |
| InChI Key | BLRUIZCVHXIZAJ-UHFFFAOYSA-N |
| MDL Number | MFCD16841977 |
| Molecular Formula | C10H8BrF3O |
| Molecular Weight | 281.0691 |
| SMILES | CCC(C1=C(C(F)(F)F)C=C(Br)C=C1)=O |
| Synonyms | 1251389-42-0,
1-(4-Bromo-2-(trifluoromethyl)phenyl)propan-1-one,
1-[4-bromo-2-(trifluoromethyl)phenyl]propan-1-one,
ZINC54270014,
AKOS011984694,
4'-Bromo-2'-(trifluoromethyl)propiophenone,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.072g/mol |
| Monoisotopic Mass | 279.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number