| CAS Number | 61668-02-8 |
| Catalog Number | AG01AJGO(AGN-PC-0A9ZLG) |
| Chemical Name | 1-(4-Fluorophenyl)but-3-en-1-one |
| IUPAC Name | 1-(4-fluorophenyl)but-3-en-1-one |
| InChI | InChI=1S/C10H9FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7H,1,3H2 |
| InChI Key | PXMFXMMTOGHPDF-UHFFFAOYSA-N |
| MDL Number | MFCD14653094 |
| Molecular Formula | C10H9FO |
| Molecular Weight | 164.1763 |
| SMILES | FC1=CC=C(C(CC=C)=O)C=C1 |
| Synonyms | 1-(4-fluorophenyl)but-3-en-1-one,
61668-02-8,
Allyl p-fluorophenyl ketone,
SCHEMBL8519584,
CTK2D5105,
DTXSID10712405,
ZINC38301550,
AKOS008146289,
MCULE-4618042597,
3-Buten-1-one, 1-(4-fluorophenyl)-,
EN300-80682,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.179g/mol |
| Monoisotopic Mass | 164.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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