Basic information
- CAS
19411-80-4- Standard SMILES
CCOC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O- InChIKey
SGLZOEHATVEHGH-UHFFFAOYSA-N- Molecular formula
- C13H13ClO3
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.055322
Names & identifiers
- Preferred name
- Ethyl 2-[(4-chlorophenyl)methylene]-3-oxobutanoate
- IUPAC
- ethyl 2-[(4-chlorophenyl)methylidene]-3-oxobutanoate
- English name
- Butanoic acid, 2-[(4-chlorophenyl)methylene]-3-oxo-, ethyl ester
- Molecular formula
- C13H13ClO3
- Molecular weight
- 252.69
Names & synonyms
19411-80-4Ethyl 2-((4-chlorophenyl)methylene)-3-oxobutanoateEthyl 2-[(4-chlorophenyl)methylene]-3-oxobutanoateRefChem:342317ethyl 2-[(4-chlorophenyl)methylidene]-3-oxobutanoateButanoic acid, 2-[(4-chlorophenyl)methylene]-3-oxo-, ethyl esterBaclofen Impurity 9SCHEMBL4778485DTXSID503272192-(4-Chlorobenzylidene)acetoacetic acid ethyl esterethyl 2-(4-chlorobenzylidene)-3-oxobutanoate
Database identifiers
- CAS
19411-80-4- PubChem CID
- 367498
- DTXSID
DTXSID50327219
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
LogP3.04
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 363.5 · 363.5±27.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers14 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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