| CAS Number | 1557697-10-5 |
| Catalog Number | AG019EKX |
| Chemical Name | 3-(4-Fluorotetrahydro-2H-pyran-4-yl)benzaldehyde |
| IUPAC Name | 3-(4-fluorooxan-4-yl)benzaldehyde |
| InChI | InChI=1S/C12H13FO2/c13-12(4-6-15-7-5-12)11-3-1-2-10(8-11)9-14/h1-3,8-9H,4-7H2 |
| InChI Key | NBAPKIGZRUTKJB-UHFFFAOYSA-N |
| MDL Number | MFCD26728754 |
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.2288 |
| SMILES | O=Cc1cccc(c1)C1(F)CCOCC1 |
| Synonyms | 3-(4-Fluorotetrahydro-2H-pyran-4-yl)benzaldehyde,
1557697-10-5,
3-(4-fluoro-tetrahydro-2H-pyran-4-yl)benzaldehyde,
CS-0059778,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.232g/mol |
| Monoisotopic Mass | 208.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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