5-(1,3-Dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde oxime
Basic information
- CAS
1620459-32-6- Standard SMILES
O/N=C/c1cc(C2OCCO2)c(F)c(F)c1F- InChIKey
ZUBCUXZOOAXQAX-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO3
- Average molar mass
- 247.17 g/mol
- Monoisotopic mass
- 247.0456276
Names & identifiers
- Preferred name
- 5-(1,3-Dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde oxime
- IUPAC
- (NE)-N-[[5-(1,3-dioxolan-2-yl)-2,3,4-trifluorophenyl]methylidene]hydroxylamine
- English name
- Benzaldehyde, 5-?(1,?3-?dioxolan-?2-?yl)?-?2,?3,?4-?trifluoro-?, oxime
- Molecular formula
- C10H8F3NO3
- Molecular weight
- 247.17
Names & synonyms
1620459-32-65-(1,3-Dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde oximeRRJ39X3LGESCHEMBL158795745-(1,3-Dioxolan-2-yl)-2,3,4-trifluorobenzaldehydeoximeBenzaldehyde, 5-(1,3-dioxolan-2-yl)-2,3,4-trifluoro-, oxime
Database identifiers
- CAS
1620459-32-6- PubChem CID
- 90284432
- UNII
- RRJ39X3LGE
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 286.8 · 286.8±40.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 10.02 · 10.02±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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