1-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
Basic information
- CAS
881467-01-2- Standard SMILES
O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc2c(c1)OCO2- InChIKey
UNSMGTMNHCCZLS-CCVNUDIWSA-N- Molecular formula
- C26H17ClN2O5
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.0825993
Names & identifiers
- Preferred name
- 1-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
- IUPAC
- [1-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
- English name
- 1-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
- Molecular formula
- C26H17ClN2O5
- Molecular weight
- 472.88
Names & synonyms
AKOS0244116651-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE1,3-Benzodioxole-5-carboxylic acid, 2-[[2-[(2-chlorobenzoyl)oxy]-1-naphthalenyl]methylene]hydrazide
Database identifiers
- CAS
881467-01-2- PubChem CID
- 9629319
- EC Number
- 131-302-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Density
- 1.387 · 1.387±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.115 · 11.115±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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