4-(Decyloxy)-3-fluorobenzoic acid
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Basic information
- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)O)cc1F- InChIKey
XVICHYQFMAVOKG-UHFFFAOYSA-N- Molecular formula
- C17H25FO3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.17877282
Names & identifiers
- Preferred name
- 4-(Decyloxy)-3-fluorobenzoic acid
- IUPAC
- 4-decoxy-3-fluorobenzoic acid
Names & synonyms
4-(decyloxy)-3-fluorobenzoic acidSCHEMBL86460094-decyloxy-3-fluorobenzoic acid3-fluoro-4-decyloxy benzoic acidXVICHYQFMAVOKG-UHFFFAOYSA-Nbenzoic acid, 4-(decyloxy)-3-fluoro-InChI=1/C17H25FO3/c1-2-3-4-5-6-7-8-9-12-21-16-11-10-14(17(19)20)13-15(16)18/h10-11,13H,2-9,12H2,1H3,(H,19,20
Database identifiers
- PubChem CID
- 639974
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
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Related reactions
4 records
Compound notes
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