2-methoxy-4-[(E)-{2-[(2-methylphenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoate
Basic information
- CAS
339260-24-1- Standard SMILES
COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Cl- InChIKey
HJAZKLMDRAYQOC-VULFUBBASA-N- Molecular formula
- C24H21ClN2O5
- Average molar mass
- 452.9 g/mol
- Monoisotopic mass
- 452.1138995
Names & identifiers
- Preferred name
- 2-methoxy-4-[(E)-{2-[(2-methylphenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoate
- IUPAC
- [2-methoxy-4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
- English name
- 2-Methoxy-4-(2-((2-methylphenoxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
- Molecular formula
- C24H21ClN2O5
- Molecular weight
- 452.89
Names & synonyms
STK667779AKOS0017324682-METHOXY-4-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE2-methoxy-4-[(E)-{2-[(2-methylphenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoateBenzoic acid, 2-chloro-, 2-methoxy-4-[[2-[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
339260-24-1- PubChem CID
- 9565201
- EC Number
- 137-231-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Density
- 1.244 · 1.244±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.641 · 11.641±0.46(predicted)
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Compound notes
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