Basic information
- Standard SMILES
N#Cc1cc(CO)ccc1Oc1ccc(F)c(Cl)c1- InChIKey
WODIMFVBUOSRHU-UHFFFAOYSA-N- Molecular formula
- C14H9ClFNO2
- Average molar mass
- 277.68 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-fluorophenoxy)-5-(hydroxymethyl)benzonitrile
- IUPAC
- 2-(3-chloro-4-fluorophenoxy)-5-(hydroxymethyl)benzonitrile
Names & synonyms
SCHEMBL14656548WODIMFVBUOSRHU-UHFFFAOYSA-N2-(3-chloro-4-fluorophenoxy)-5-(hydroxymethy)benzonitrile2-(3-chloro-4-fluorophenoxy)-5-(hydroxymethyl)benzonitrile
Database identifiers
- PubChem CID
- 71236832
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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