Basic information
- Standard SMILES
CCOC(=O)/C=C/C#Cc1cc(Cl)cc(Cl)c1- InChIKey
UTPBDAAHXJHWQY-GQCTYLIASA-N- Molecular formula
- C13H10Cl2O2
- Average molar mass
- 269.12 g/mol
Names & identifiers
- Preferred name
- (E)-5-(3,5-dichlorophenyl)-pent-2-en-4-ynoic acid ethyl ester
- IUPAC
- ethyl (E)-5-(3,5-dichlorophenyl)pent-2-en-4-ynoate
Names & synonyms
SCHEMBL5480357UTPBDAAHXJHWQY-GQCTYLIASA-N(E)-5-(3,5-dichloro-phenyl)-pent-2-en-4-ynoic acid ethyl ester(E)-5-(3,5-dichlorophenyl)-pent-2-en-4-ynoic acid ethyl ester
Database identifiers
- PubChem CID
- 86583979
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
3 records
Compound notes
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