Basic information
- CAS
5869-60-3- Standard SMILES
CCOC(=O)C(N=Nc1ccc(Cl)cc1)C(C)=O- InChIKey
PXAXDTSHPSUWIP-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Names & identifiers
- Preferred name
- Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoate
- IUPAC
- ethyl 2-[(4-chlorophenyl)diazenyl]-3-oxobutanoate
- English name
- Butanoic acid, 2-[2-(4-chlorophenyl)diazenyl]-3-oxo-, ethyl ester
- Molecular formula
- C12H13ClN2O3
- Molecular weight
- 268.7
Names & synonyms
5869-60-3DTXSID201222285Ethyl 2-(2-(4-chlorophenyl)diazenyl)-3-oxobutanoateethyl 2-[2-(4-chlorophenyl)diazenyl]-3-oxobutanoateRefChem:1084758DTXCID9010705202-((p-Chlorophenyl)azo)-3-oxobutyric acid ethyl esterBRN 09609674-Chlor-phenyl-azo-acetessigester [German]4-Chlor-phenyl-azo-acetessigesterethyl 2-[(4-chlorophenyl)diazenyl]-3-oxobutanoateButanoic acid, 2-((4-chlorophenyl)azo)-3-oxo-, ethyl ester
Show more names
2-((4-CHLORO-PHENYL)-HYDRAZONO)-3-OXO-BUTYRIC ACID ETHYL ESTERButanoic acid, 2-[2-(4-chlorophenyl)diazenyl]-3-oxo-, ethyl ester
ACETOACETIC ACID, 2-((p-CHLOROPHENYL)AZO)-, ETHYL ESTERSCHEMBL11767203PXAXDTSHPSUWIP-UHFFFAOYSA-N2-(4'-chlorophenylazo)-acetoacetic acid ethyl ester
Database identifiers
- CAS
5869-60-3- PubChem CID
- 22161
- DTXSID
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 88 °C · 88 °C
- Boiling point
- 332.3 · 332.3±42.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 7.54 · 7.54±0.59(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
1 records
Compound notes
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