Basic information
- Standard SMILES
CCOc1cccc(-c2ccc(CC(=O)O)c([N+](=O)[O-])c2)c1- InChIKey
OWVXRMWQDIKWMO-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
Names & identifiers
- Preferred name
- 3'-Ethoxy-3-nitrobiphenyl-4-acetic acid
- IUPAC
- 2-[4-(3-ethoxyphenyl)-2-nitrophenyl]acetic acid
Names & synonyms
SCHEMBL4413254OWVXRMWQDIKWMO-UHFFFAOYSA-N3'-ethoxy-3-nitrobiphenyl-4-acetic acid
Database identifiers
- PubChem CID
- 10780628
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
41 records
Compound notes
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