| CAS Number | 81206-69-1 |
| Catalog Number | AG00G8QB(AGN-PC-0WO1TQ) |
| Chemical Name | 4-(Trifluoromethyl)cyclohex-2-en-1-one |
| IUPAC Name | 4-(trifluoromethyl)cyclohex-2-en-1-one |
| InChI | InChI=1S/C7H7F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1,3,5H,2,4H2 |
| InChI Key | JORQWRLRSVEFTQ-UHFFFAOYSA-N |
| MDL Number | MFCD24696360 |
| Molecular Formula | C7H7F3O |
| Molecular Weight | 164.1251 |
| SMILES | FC(C1C=CC(=O)CC1)(F)F |
| Synonyms | 4-(trifluoromethyl)cyclohex-2-en-1-one,
81206-69-1,
4-(trifluoromethyl)-2-Cyclohexen-1-one,
AKOS026726683,
NE36653,
FT-0760003,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.127g/mol |
| Monoisotopic Mass | 164.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number