4-BR-2-(2-((2,3-Dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate
Basic information
- CAS
868568-72-3- Standard SMILES
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1- InChIKey
CVWREFOZRZSBQV-XODNFHPESA-N- Molecular formula
- C24H19BrCl2N2O5
- Average molar mass
- 566.2 g/mol
- Monoisotopic mass
- 563.98544
Names & identifiers
- Preferred name
- 4-BR-2-(2-((2,3-Dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
- English name
- 4-Br-2-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate
- Molecular formula
- C24H19BrCl2N2O5
- Molecular weight
- 566.23
Names & synonyms
AKOS0244140064-BR-2-(2-((2,3-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATEBenzoic acid, 4-ethoxy-, 4-bromo-2-[[2-[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
868568-72-3- PubChem CID
- 9687882
- EC Number
- 136-516-9
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Density
- 1.464 · 1.464±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.256 · 11.256±0.46(predicted)
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Compound notes
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