| CAS Number | 1257844-57-7 |
| Catalog Number | AG01C1R2 |
| Chemical Name | 5,6,7-Trifluoro-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 5,6,7-trifluoro-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H5F3O/c10-5-3-4-1-2-6(13)7(4)9(12)8(5)11/h3H,1-2H2 |
| InChI Key | JIAZZRGVQRLEPU-UHFFFAOYSA-N |
| MDL Number | MFCD17284589 |
| Molecular Formula | C9H5F3O |
| Molecular Weight | 186.1306 |
| SMILES | FC=1C=C2CCC(C2=C(C1F)F)=O |
| Synonyms | 5,6,7-trifluoro-2,3-dihydro-1H-inden-1-one,
1257844-57-7,
ZINC62706478,
AKOS012350551,
Z2238934596,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.133g/mol |
| Monoisotopic Mass | 186.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number