| CAS Number | 1318770-38-5 |
| Catalog Number | AG000ZUI(AGN-PC-0WQZW6) |
| Chemical Name | 2H-1-Benzopyran-2-one, 3-acetyl-7-fluoro- |
| IUPAC Name | 3-acetyl-7-fluorochromen-2-one |
| InChI | InChI=1S/C11H7FO3/c1-6(13)9-4-7-2-3-8(12)5-10(7)15-11(9)14/h2-5H,1H3 |
| InChI Key | FWNPARQZOFDGOO-UHFFFAOYSA-N |
| MDL Number | MFCD28127194 |
| Molecular Formula | C11H7FO3 |
| Molecular Weight | 206.1699 |
| SMILES | C(C)(=O)C=1C(OC2=CC(=CC=C2C1)F)=O |
| Synonyms | 3-acetyl-7-fluoro-2H-chromen-2-one,
1318770-38-5,
3-ACETYL-7-FLUOROCHROMEN-2-ONE,
SCHEMBL15066712,
FWNPARQZOFDGOO-UHFFFAOYSA-N,
AKOS026671146,
ZINC146231810,
2H-1-Benzopyran-2-one, 3-acetyl-7-fluoro-,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.172g/mol |
| Monoisotopic Mass | 206.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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