| CAS Number | 849796-05-0 |
| Catalog Number | AG008HDY(AGN-PC-0OJIHB) |
| Chemical Name | (2E)-3-(pentafluorophenyl)prop-2-enal |
| IUPAC Name | 3-(2,3,4,5,6-pentafluorophenyl)prop-2-enal |
| InChI | InChI=1S/C9H3F5O/c10-5-4(2-1-3-15)6(11)8(13)9(14)7(5)12/h1-3H |
| InChI Key | MSASXPHJYWAVPG-UHFFFAOYSA-N |
| MDL Number | MFCD21851657 |
| Molecular Formula | C9H3F5O |
| Molecular Weight | 222.1115 |
| SMILES | FC1=C(F)C(F)=C(/C=C/C=O)C(F)=C1F |
| Synonyms | 849796-05-0,
2-Propenal, 3-(pentafluorophenyl)-, (2E)-,
CTK2I4724,
DTXSID30712220,
3-(Pentafluorophenyl)prop-2-enal,
AKOS017884352,
2,3,4,5,6-pentafluoro-cinnamaldehyde,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.114g/mol |
| Monoisotopic Mass | 222.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number