1-(2-Decanoylcarbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
Basic information
- CAS
883572-99-4- Standard SMILES
CCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12- InChIKey
JOLCLJLXCUIJDG-TWKHWXDSSA-N- Molecular formula
- C28H31ClN2O3
- Average molar mass
- 479 g/mol
- Monoisotopic mass
- 478.2023205
Names & identifiers
- Preferred name
- 1-(2-Decanoylcarbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
- IUPAC
- [1-[(E)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
- English name
- 1-(2-Decanoylcarbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
- Molecular formula
- C28H31ClN2O3
- Molecular weight
- 479.01
Names & synonyms
AKOS0244116271-(2-DECANOYLCARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATEBenzoic acid, 2-chloro-, 1-[[2-(1-oxodecyl)hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
883572-99-4- PubChem CID
- 9622892
- EC Number
- 131-325-7
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Density
- 1.151 · 1.151±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.993 · 12.993±0.46(predicted)
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Compound notes
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