3-Fluoro-4-N-octyloxybenzoic acid

• CAS: 326-78-3
• Catalog Number: ACM326783
• Category: Other Products
• Molecular Weight: 268.32g/mol
• Molecular Formula: C15H21FO3
• IUPAC Name: 3-fluoro-4-octoxybenzoic acid
• Canonical SMILES: CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F
• InChI: InChI=1S/C15H21FO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10H2,1H3,(H,17,18)
• InChI Key: SQVFTDZEUGEJTQ-UHFFFAOYSA-N
• Complexity: 258
• Covalently-Bonded Unit Count: 1
• Exact Mass: 268.147473g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 268.147473g/mol
• Rotatable Bond Count: 9
• XLogP3: 4.9