5-(2-(4-Chlorophenyl)hydrazono)-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
81077-45-4- Standard SMILES
CC1(C)OC(=O)C(=NNc2ccc(Cl)cc2)C(=O)O1- InChIKey
QAIDZUZUMRNZSA-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O4
- Average molar mass
- 282.68 g/mol
- Monoisotopic mass
- 282.0407345
Names & identifiers
- Preferred name
- 5-(2-(4-Chlorophenyl)hydrazono)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(4-chlorophenyl)hydrazinylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Names & synonyms
81077-45-45-(2-(4-Chlorophenyl)hydrazono)-2,2-dimethyl-1,3-dioxane-4,6-dioneHMS2402K13NSC358750MLS000536440CHEMBL1506046DTXSID00320376AKOS004909235NSC-358750SMR000151408CS-0279318SR-01000034951
Show more names
SR-01000034951-1Z55339429T0509-84795-[2-(4-Chlorophenyl)hydrazinylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
81077-45-4- PubChem CID
- 338046
- DTXSID
DTXSID00320376- ChEMBL
CHEMBL1506046- Nikkaji
- J1.203.610H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
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Related reactions
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Compound notes
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