AC1MCDXK
1-[6-(2-fluorophenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazol-3-yl]ethanone
Also Known As: KS-00002Z9Q|1-[6-(2-fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]-1-ethanone|11H-939|1-[6-(2-fluorophenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazol-3-yl]ethanone|1-[6-(2-fluorophenyl)-3aH,4H,6H,8H,8aH-[1,3]dioxepino[5,6-d][1,2]oxazol-3-yl]ethan-1-one|1-[6-(2-Fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]ethanone|1-[6-(2-Fluorophenyl)-3a,4,8,8a-tetrahydro-6H-[1,3]dioxepino[5,6-d][1,2]oxazol-3-yl]ethan-1-one
| Molecular Formula | C14H14FNO4 |
|---|---|
| Molecular Weight | 279.0907 g/mol |
| LogP | 1.8311 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0907 |
| Monoisotopic Mass | 279.0907 |
| Heavy Atoms | 20 |
| Complexity | 559.8598 |
Chemical Identifiers
| CAS Number | 321391-96-2 |
|---|---|
| SMILES | CC(=O)C1=NOC2C1COC(OC2)C3=CC=CC=C3F |
Product Overview
AC1MCDXK (CAS 321391-96-2), with molecular formula C14H14FNO4 and molecular weight 279.0907 g/mol. IUPAC: 1-[6-(2-fluorophenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazol-3-yl]ethanone.
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