| CAS Number | 1537447-67-8 |
| Catalog Number | AG01ELC2 |
| Chemical Name | 1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H6BrF3O/c1-5-2-3-6(10)4-7(5)8(14)9(11,12)13/h2-4H,1H3 |
| InChI Key | WJAUJCIDJPNGRK-UHFFFAOYSA-N |
| MDL Number | MFCD26596072 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | CC1=C(C(C(F)(F)F)=O)C=C(Br)C=C1 |
| Synonyms | 1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-one,
1537447-67-8,
|
| Complexity | 227 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number