Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(OC2C=CCCC2)C(=O)O)cc1Cl- InChIKey
KURINMGWINKYDZ-UHFFFAOYSA-N- Molecular formula
- C15H17ClO5S
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0485225
Names & identifiers
- Preferred name
- Rac-(3-chloro-4-methanesulfonyl-phenyl)-(cyclohex-2-enyloxy)-acetic acid
- IUPAC
- 2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohex-2-en-1-yloxyacetic acid
Names & synonyms
SCHEMBL2652717KURINMGWINKYDZ-UHFFFAOYSA-Nrac-(3-chloro-4-methanesulfonyl-phenyl)-(cyclohex-2-enyloxy)-acetic acid
Database identifiers
- PubChem CID
- 18172587
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 525
Related reactions
6 records
Compound notes
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