Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(OC2CCCC2)C(=O)O)cc1Cl- InChIKey
PNKQWHDMNAZTNF-UHFFFAOYSA-N- Molecular formula
- C14H17ClO5S
- Average molar mass
- 332.8 g/mol
Names & identifiers
- Preferred name
- Rac-(3-chloro-4-methanesulfonyl-phenyl)-cyclopentyloxy-acetic acid
- IUPAC
- 2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyacetic acid
Names & synonyms
SCHEMBL2653002PNKQWHDMNAZTNF-UHFFFAOYSA-Nrac-(3-chloro-4-methanesulfonyl-phenyl)-cyclopentyloxy-acetic acid
Database identifiers
- PubChem CID
- 18172604
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
6 records
Compound notes
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