[[5-Chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
Basic information
- CAS
321430-08-4- Standard SMILES
O=C(CCCCl)ON=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(Cl)cc21- InChIKey
MKOVZROZKDQEDQ-UHFFFAOYSA-N- Molecular formula
- C19H14Cl4N2O3
- Average molar mass
- 460.1 g/mol
Names & identifiers
- Preferred name
- [[5-Chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
- IUPAC
- [[5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
- English name
- 5-Chloro-3-([(4-chlorobutanoyl)oxy]imino)-1-(2,6-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C19H14Cl4N2O3
- Molecular weight
- 460.14
Names & synonyms
5-Chloro-3-([(4-chlorobutanoyl)oxy]imino)-1-(2,6-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one1H-Indole-2,3-dione, 5-chloro-1-[(2,6-dichlorophenyl)methyl]-, 3-[O-(4-chloro-1-oxobutyl)oxime][(3Z)-5-chloro-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 4-chlorobutanoate
Database identifiers
- CAS
321430-08-4
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 590.068 · 590.068±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.501 · 1.501±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.642 · -2.642±0.20(predicted)
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Compound notes
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