4-(4-Fluoro-benzyloxy)-phthalic acid bis-(4-fluoro-benzyl) ester
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Basic information
- Standard SMILES
O=C(OCc1ccc(F)cc1)c1ccc(OCc2ccc(F)cc2)cc1C(=O)OCc1ccc(F)cc1- InChIKey
KQNMGUQZSQAXMO-UHFFFAOYSA-N- Molecular formula
- C29H21F3O5
- Average molar mass
- 506.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluoro-benzyloxy)-phthalic acid bis-(4-fluoro-benzyl) ester
- IUPAC
- bis[(4-fluorophenyl)methyl] 4-[(4-fluorophenyl)methoxy]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL6306364KQNMGUQZSQAXMO-UHFFFAOYSA-N4-(4-fluoro-benzyloxy)-phthalic acid bis-(4-fluoro-benzyl) ester
Database identifiers
- PubChem CID
- 69736865
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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