Basic information
- Standard SMILES
O=C(O)c1ccc(COc2ccc(-c3ccccc3)cc2Cl)o1- InChIKey
AIBNDHOISXWIDH-UHFFFAOYSA-N- Molecular formula
- C18H13ClO4
- Average molar mass
- 328.7 g/mol
- Monoisotopic mass
- 328.0502366
Names & identifiers
- Preferred name
- 5-(3-Chloro-biphenyl-4-yloxymethyl)-furan-2-carboxylic acid
- IUPAC
- 5-[(2-chloro-4-phenylphenoxy)methyl]furan-2-carboxylic acid
Names & synonyms
SCHEMBL3569627AIBNDHOISXWIDH-UHFFFAOYSA-N5-(3-Chloro-biphenyl-4-yloxymethyl)-furan-2-carboxylic acid
Database identifiers
- PubChem CID
- 11221165
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
3 records
Compound notes
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