Basic information
- CAS
303985-20-8- Standard SMILES
O=C1C(=NNc2cccc(Cl)c2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1- InChIKey
GAQPMPZOZPUXJZ-UHFFFAOYSA-N- Molecular formula
- C21H14Cl3N3O
- Average molar mass
- 430.7 g/mol
Names & identifiers
- Preferred name
- CID 6822105
- IUPAC
- 3-[(3-chlorophenyl)hydrazinylidene]-1-[(3,4-dichlorophenyl)methyl]indol-2-one
- English name
- 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione 3-[N-(3-chlorophenyl)hydrazone]
- Molecular formula
- C21H14Cl3N3O
- Molecular weight
- 430.71
Names & synonyms
1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione 3-[N-(3-chlorophenyl)hydrazone]1H-Indole-2,3-dione, 1-[(3,4-dichlorophenyl)methyl]-, 3-[2-(3-chlorophenyl)hydrazone](3E)-3-[2-(3-chlorophenyl)hydrazin-1-ylidene]-1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indol-2-one
Database identifiers
- CAS
303985-20-8
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 577.4 · 577.4±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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