1H-Indole-3,6-dicarboxaldehyde, 2,3-dihydro-1-(2,6-dichlorophenyl)-2-oxo-, 3,6-dioxime
Basic information
- CAS
110370-43-9- Standard SMILES
O=C1C(/C=N/O)c2ccc(/C=N/O)cc2N1c1c(Cl)cccc1Cl- InChIKey
MHMFLYFGFZTCGJ-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2N3O3
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.0177466
Names & identifiers
- Preferred name
- 1H-Indole-3,6-dicarboxaldehyde, 2,3-dihydro-1-(2,6-dichlorophenyl)-2-oxo-, 3,6-dioxime
- IUPAC
- 1-(2,6-dichlorophenyl)-3,6-bis[(E)-hydroxyiminomethyl]-3H-indol-2-one
- English name
- Indole-3,6-dicarboxaldehyde
- Molecular formula
- C16H11Cl2N3O3
- Molecular weight
- 364.18
Names & synonyms
1H-Indole-3,6-dicarboxaldehyde, 2,3-dihydro-1-(2,6-dichlorophenyl)-2-oxo-, 3,6-dioximeRefChem:1058193110370-43-9BRN 56218681-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime2,3-Dihydro-1-(2,6-dichlorophenyl)-2-oxo-1H-indole-3,6-dicarboxaldehyde 3,6-dioximeIndole-3,6-dicarboxaldehyde1H-Indole-3,6-dicarboxaldehyde, 1-(2,6-dichlorophenyl)-2,3-dihydro-2-oxo-, 3,6-dioxime
Database identifiers
- CAS
110370-43-9- PubChem CID
- 9570992
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Melting point
- 210 · 210-211 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 638.3 · 638.3±55.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.28(Predicted)
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