| CAS Number | 36716-73-1 |
| Catalog Number | AG01A4TF(AGN-PC-03R767) |
| Chemical Name | 4-(4-Fluorophenyl)cyclohex-3-en-1-one |
| IUPAC Name | 4-(4-fluorophenyl)cyclohex-3-en-1-one |
| InChI | InChI=1S/C12H11FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-3,5-6H,4,7-8H2 |
| InChI Key | XODDALSHJPOPEY-UHFFFAOYSA-N |
| MDL Number | MFCD12827842 |
| Molecular Formula | C12H11FO |
| Molecular Weight | 190.2135 |
| SMILES | FC1=CC=C(C2CCC(=O)CC=2)C=C1 |
| Synonyms | 4-(4-fluorophenyl)cyclohex-3-en-1-one,
36716-73-1,
4-(p-fluorophenyl)-3-cyclohexen-1-one,
SCHEMBL6851839,
XODDALSHJPOPEY-UHFFFAOYSA-N,
ZINC95218261,
1-(4-fluorophenyl)-cyclohexen-4-one,
AKOS017515924,
NE29156,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.217g/mol |
| Monoisotopic Mass | 190.079g/mol |
| Rotatable Bond Count | 1 |
| 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