Basic information
- Standard SMILES
CCOC(=O)C(C#N)Cc1ccc(Cl)c(F)c1- InChIKey
YMBDWXYENLXKIE-UHFFFAOYSA-N- Molecular formula
- C12H11ClFNO2
- Average molar mass
- 255.67 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-chloro-3-fluorophenyl)-2-cyanopropanoate
- IUPAC
- ethyl 3-(4-chloro-3-fluorophenyl)-2-cyanopropanoate
Names & synonyms
SCHEMBL2260846YMBDWXYENLXKIE-UHFFFAOYSA-Nethyl 3-(4-chloro-3-fluorophenyl)-2-cyanopropanoate
Database identifiers
- PubChem CID
- 67338337
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
3 records
Compound notes
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