Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1COc1cncc(F)c1- InChIKey
GRVROMRVCUUZPR-UHFFFAOYSA-N- Molecular formula
- C14H11ClFNO3
- Average molar mass
- 295.69 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-{[(5-fluoropyridin-3-yl)oxy]methyl}benzoate
- IUPAC
- methyl 5-chloro-2-[(5-fluoro-3-pyridinyl)oxymethyl]benzoate
Names & synonyms
SCHEMBL3986819GRVROMRVCUUZPR-UHFFFAOYSA-NMethyl 5-chloro-2-{[(5-fluoropyridin-3-yl)oxy]methyl}benzoate
Database identifiers
- PubChem CID
- 68865859
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
3 records
Compound notes
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