6-(3-Chloro-2-fluorophenoxy)nicotinic acid
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Basic information
- CAS
1245643-50-8- Standard SMILES
O=C(O)c1ccc(Oc2cccc(Cl)c2F)nc1- InChIKey
XLGXSPWCVAGSMM-UHFFFAOYSA-N- Molecular formula
- C12H7ClFNO3
- Average molar mass
- 267.64 g/mol
- Monoisotopic mass
- 267.0098489
Names & identifiers
- Preferred name
- 6-(3-Chloro-2-fluorophenoxy)nicotinic acid
- IUPAC
- 6-(3-chloro-2-fluorophenoxy)pyridine-3-carboxylic acid
- English name
- 6-(3-Chloro-2-fluorophenoxy)nicotinic acid
- Molecular formula
- C12H7ClFNO3
- Molecular weight
- 267.64
Names & synonyms
1245643-50-86-(3-Chloro-2-fluorophenoxy)nicotinic acid6-(3-CHLORO-2-FLUOROPHENOXY)PYRIDINE-3-CARBOXYLIC ACIDDA-189676-(3-chloro-2-fluorophenoxy)-3-Pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-(3-chloro-2-fluorophenoxy)-
Database identifiers
- CAS
1245643-50-8- PubChem CID
- 72206771
Properties
Computed structural propertiesFilling in
- 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
0 records
No reaction records under the current filter.
Compound notes
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