3-(2-Chloro-4-ethoxy-5-methoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile
Basic information
- CAS
5320-93-4- Standard SMILES
CCOc1cc(Cl)c(C=C(C#N)c2ccccc2F)cc1OC- InChIKey
BUHDEWXDPINKGN-UHFFFAOYSA-N- Molecular formula
- C18H15ClFNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0775346
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-ethoxy-5-methoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile
- IUPAC
- 3-(2-chloro-4-ethoxy-5-methoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile
Names & synonyms
5320-93-43-(2-chloro-4-ethoxy-5-methoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrileDTXSID20409516
Database identifiers
- CAS
5320-93-4- PubChem CID
- 5201023
- DTXSID
DTXSID20409516
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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