4-(2-((4-CL-Anilino)(oxo)AC)carbohydrazonoyl)-2-ethoxy-PH 2,4-dichlorobenzoate
Basic information
- CAS
881462-53-9- Standard SMILES
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl- InChIKey
CSVHUUWBYUXFJM-XODNFHPESA-N- Molecular formula
- C24H18Cl3N3O5
- Average molar mass
- 534.8 g/mol
- Monoisotopic mass
- 533.031204
Names & identifiers
- Preferred name
- 4-(2-((4-CL-Anilino)(oxo)AC)carbohydrazonoyl)-2-ethoxy-PH 2,4-dichlorobenzoate
- IUPAC
- [4-[(E)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
- English name
- 4-(2-((4-Cl-anilino)(oxo)Ac)carbohydrazonoyl)-2-ethoxy-Ph 2,4-dichlorobenzoate
- Molecular formula
- C24H18Cl3N3O5
- Molecular weight
- 534.78
Names & synonyms
AKOS0244091344-(2-((4-CL-ANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-ETHOXY-PH 2,4-DICHLOROBENZOATEBenzoic acid, 2,4-dichloro-, 4-[[2-[2-[(4-chlorophenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl ester
Database identifiers
- CAS
881462-53-9- PubChem CID
- 9606832
- EC Number
- 127-028-7
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Density
- 1.411 · 1.411±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.595 · 9.595±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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