Ethyl 4-(4-chloro-3-fluorophenyl)-4-oxobutanoate
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Basic information
- CAS
473693-78-6- Standard SMILES
CCOC(=O)CCC(=O)c1ccc(Cl)c(F)c1- InChIKey
HMHKBROFDSMJNJ-UHFFFAOYSA-N- Molecular formula
- C12H12ClFO3
- Average molar mass
- 258.67 g/mol
- Monoisotopic mass
- 258.0459001
Names & identifiers
- Preferred name
- Ethyl 4-(4-chloro-3-fluorophenyl)-4-oxobutanoate
- IUPAC
- ethyl 4-(4-chloro-3-fluorophenyl)-4-oxobutanoate
- English name
- ETHYL 4-(4-CHLORO-3-FLUOROPHENYL)-4-OXOBUTYRATE
- Molecular formula
- C12H12ClFO3
- Molecular weight
- 258.67
Names & synonyms
ETHYL 4-(4-CHLORO-3-FLUOROPHENYL)-4-OXOBUTANOATE473693-78-6MFCD07782901ethyl 4-(4-chloro-3-fluorophenyl)-4-oxobutyrateSCHEMBL2821150DTXSID40645858HMHKBROFDSMJNJ-UHFFFAOYSA-NAKOS010917862F208207ethyl 4-(4-chloro-3-fluoro-phenyl)-4-oxo-butanoateETHYL4-(4-CHLORO-3-FLUOROPHENYL)-4-OXOBUTANOATEEthyl 4-chloro-3-fluoro-γ-oxobenzenebutanoate
Show more names
Ethyl 4-chloro-3-fluoro-γ-oxobenzenebutanoateBenzenebutanoic acid, 4-chloro-3-fluoro-γ-oxo-, ethyl ester
Database identifiers
- CAS
473693-78-6- PubChem CID
- 24727751
- DTXSID
DTXSID40645858
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
2 records
Compound notes
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