Basic information
- CAS
61150-53-6- Standard SMILES
COc1cc(Sc2ccccc2CC(=O)O)ccc1Cl- InChIKey
FOAHRXRPBBZJGL-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3S
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.0273931
Names & identifiers
- Preferred name
- {2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetic acid
- IUPAC
- 2-[2-(4-chloro-3-methoxyphenyl)sulfanylphenyl]acetic acid
Names & synonyms
61150-53-6SCHEMBL11480340{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetic acidDTXSID60495019FOAHRXRPBBZJGL-UHFFFAOYSA-N2-(4-chloro-3-methoxyphenylthio)phenylacetic acid
Database identifiers
- CAS
61150-53-6- PubChem CID
- 12374613
- DTXSID
DTXSID60495019
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
1 records
Compound notes
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