| CAS Number | 104384-69-2 |
| Catalog Number | AG01BCTW(AGN-PC-02O0ZJ) |
| Chemical Name | 2-Bromo-1-[2-(Trifluoromethyl)Phenyl]Propan-1-One |
| IUPAC Name | 2-bromo-1-[2-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C10H8BrF3O/c1-6(11)9(15)7-4-2-3-5-8(7)10(12,13)14/h2-6H,1H3 |
| InChI Key | HEFXTBTYIGBJDA-UHFFFAOYSA-N |
| MDL Number | MFCD18392394 |
| Molecular Formula | C10H8BrF3O |
| Molecular Weight | 281.0691 |
| SMILES | CC(C(C1=C(C(F)(F)F)C=CC=C1)=O)Br |
| Synonyms | 104384-69-2,
2-bromo-1-[2-(trifluoromethyl)phenyl]propan-1-one,
2-bromo-1-(2-trifluoromethylphenyl)propan-1-one,
2-bromo-1-(2-trifluoromethyl-phenyl)-propan-1-one,
SCHEMBL2027517,
HEFXTBTYIGBJDA-UHFFFAOYSA-N,
MFCD18392394,
AKOS030239337,
NE17892,
PS-9805,
2-Bromo-2'-(trifluoromethyl)propiophenone,
2-Bromo-2?-(trifluoromethyl)propiophenone,
2'-(Trifluoromethyl)-alpha-bromopropiophenone,
2-Bromo-1-(2-trifluoromethylphenyl)-propan-1-one,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number