1-(2-Dodecanoylcarbohydrazonoyl)-2-naphthyl 4-chlorobenzoate
Basic information
- CAS
868630-62-0- Standard SMILES
CCCCCCCCCCCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12- InChIKey
YZUBBZDRSZNSJM-WEMUVCOSSA-N- Molecular formula
- C30H35ClN2O3
- Average molar mass
- 507.1 g/mol
- Monoisotopic mass
- 506.2336207
Names & identifiers
- Preferred name
- 1-(2-Dodecanoylcarbohydrazonoyl)-2-naphthyl 4-chlorobenzoate
- IUPAC
- [1-[(E)-(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
- English name
- 1-(2-Dodecanoylcarbohydrazonoyl)-2-naphthyl 4-chlorobenzoate
- Molecular formula
- C30H35ClN2O3
- Molecular weight
- 507.06
Names & synonyms
AKOS0244144221-(2-DODECANOYLCARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATEBenzoic acid, 4-chloro-, 1-[[2-(1-oxododecyl)hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
868630-62-0- PubChem CID
- 9636730
- EC Number
- 136-875-1
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Density
- 1.131 · 1.131±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.979 · 12.979±0.46(predicted)
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Compound notes
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