Basic information
- Standard SMILES
O=C(O)c1ccc(OCc2cccc(F)c2)cc1[N+](=O)[O-]- InChIKey
SJYBUMAONPPASK-UHFFFAOYSA-N- Molecular formula
- C14H10FNO5
- Average molar mass
- 291.23 g/mol
Names & identifiers
- Preferred name
- 4-(3-Fluoro-benzyloxy)-2-nitro-benzoic acid
- IUPAC
- 4-[(3-fluorophenyl)methoxy]-2-nitrobenzoic acid
Names & synonyms
SCHEMBL5875339SJYBUMAONPPASK-UHFFFAOYSA-N4-(3-Fluoro-benzyloxy)-2-nitro-benzoic acid
Database identifiers
- PubChem CID
- 21991771
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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