| CAS Number | 10557-18-3 |
| Catalog Number | AG01DUY6 |
| Chemical Name | 1,2-Propanedione, 1-(3-fluorophenyl)- |
| IUPAC Name | 1-(3-fluorophenyl)propane-1,2-dione |
| InChI | InChI=1S/C9H7FO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-5H,1H3 |
| InChI Key | FVXJGNSSBYPBFW-UHFFFAOYSA-N |
| MDL Number | MFCD19347252 |
| Molecular Formula | C9H7FO2 |
| Molecular Weight | 166.1491 |
| SMILES | C(=O)(C(=O)C)c1cc(F)ccc1 |
| Synonyms | 1-(3-FLUOROPHENYL)PROPANE-1,2-DIONE,
10557-18-3,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.151g/mol |
| Monoisotopic Mass | 166.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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