Basic information
- Standard SMILES
CCOC(=O)c1cc2c(F)cccc2nc1Cl- InChIKey
AQDSJAXDYWKFRB-UHFFFAOYSA-N- Molecular formula
- C12H9ClFNO2
- Average molar mass
- 253.65 g/mol
- Monoisotopic mass
- 253.0305844
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-fluoroquinoline-3-carboxylate
- IUPAC
- ethyl 2-chloro-5-fluoroquinoline-3-carboxylate
Names & synonyms
ethyl 2-chloro-5-fluoroquinoline-3-carboxylate289654-66-6ethyl 2-chloro-5-fluoro-3-quinolinecarboxylateSCHEMBL5861284AQDSJAXDYWKFRB-UHFFFAOYSA-NWS-00616E74066ethyl 2-chloro-5-fluoro-quinoline-3-carboxylate
Database identifiers
- PubChem CID
- 21891863
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
3 records
Compound notes
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