Basic information
- Standard SMILES
O=C(O)c1cccnc1Oc1ccc(F)c(Cl)c1- InChIKey
QEWYFCDGRNQAEE-UHFFFAOYSA-N- Molecular formula
- C12H7ClFNO3
- Average molar mass
- 267.64 g/mol
- Monoisotopic mass
- 267.0098489
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-fluoro-phenoxy)-nicotinic acid
- IUPAC
- 2-(3-chloro-4-fluorophenoxy)pyridine-3-carboxylic acid
Names & synonyms
2-(3-chloro-4-fluoro-phenoxy)-nicotinic acid83164-85-6SCHEMBL2336921QEWYFCDGRNQAEE-UHFFFAOYSA-NAKOS008978924DB-1481472-(3-Chloro-4-fluorophenoxy)-3-pyridinecarboxylic acid
Database identifiers
- PubChem CID
- 12849337
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
5 records
Compound notes
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