| CAS Number | 111102-82-0 |
| Catalog Number | AG009U0L(AGN-PC-06HX9E) |
| Chemical Name | 4,4,4-Trifluoro-1-(2-fluorophenyl)butane-1,3-dione |
| IUPAC Name | 4,4,4-trifluoro-1-(2-fluorophenyl)butane-1,3-dione |
| InChI | InChI=1S/C10H6F4O2/c11-7-4-2-1-3-6(7)8(15)5-9(16)10(12,13)14/h1-4H,5H2 |
| InChI Key | ZMJUOMSUMXJFPQ-UHFFFAOYSA-N |
| MDL Number | MFCD03420699 |
| Molecular Formula | C10H6F4O2 |
| Molecular Weight | 234.1471 |
| SMILES | FC1=C(C(CC(C(F)(F)F)=O)=O)C=CC=C1 |
| Synonyms | 4,4,4-trifluoro-1-(2-fluorophenyl)butane-1,3-dione,
111102-82-0,
4-(2-fluorophenyl)-1,1,1-trifluoro-2,4-butanedione,
SCHEMBL1924959,
ZMJUOMSUMXJFPQ-UHFFFAOYSA-N,
AKOS000210844,
ZINC100631000,
NE12449,
EN300-76210,
1-(2-fluoro-phenyl)-4,4,4-trifluoro-butane-1,3-dione,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.15g/mol |
| Monoisotopic Mass | 234.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number