[[1-[(3,4-Dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate
Basic information
- CAS
477853-35-3- Standard SMILES
O=C(ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(Cl)cc1Cl- InChIKey
YBTABZOMNHUSGD-UHFFFAOYSA-N- Molecular formula
- C22H12Cl4N2O3
- Average molar mass
- 494.1 g/mol
Names & identifiers
- Preferred name
- [[1-[(3,4-Dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate
- IUPAC
- [[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate
- English name
- 3-([(2,4-Dichlorobenzoyl)oxy]imino)-1-(3,4-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C22H12Cl4N2O3
- Molecular weight
- 494.15
Names & synonyms
3-([(2,4-Dichlorobenzoyl)oxy]imino)-1-(3,4-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one1H-Indole-2,3-dione, 1-[(3,4-dichlorophenyl)methyl]-, 3-[O-(2,4-dichlorobenzoyl)oxime][(3Z)-1-[(3,4-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2,4-dichlorobenzoate
Database identifiers
- CAS
477853-35-3
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 721
Physicochemical properties
- Boiling point
- 637.9 · 637.9±65.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -1.83 · -1.83±0.20(Predicted)
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Compound notes
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