Basic information
- CAS
61150-70-7- Standard SMILES
COc1ccc(C(=O)O)c(Sc2ccc(Cl)c(OC)c2)c1- InChIKey
DLGVBWHERFUPGG-UHFFFAOYSA-N- Molecular formula
- C15H13ClO4S
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.0223078
Names & identifiers
- Preferred name
- 2-[(4-Chloro-3-methoxyphenyl)sulfanyl]-4-methoxybenzoic acid
- IUPAC
- 2-(4-chloro-3-methoxyphenyl)sulfanyl-4-methoxybenzoic acid
Names & synonyms
61150-70-7SCHEMBL11478744DTXSID004950382-[(4-Chloro-3-methoxyphenyl)sulfanyl]-4-methoxybenzoic acid
Database identifiers
- CAS
61150-70-7- PubChem CID
- 12374910
- DTXSID
DTXSID00495038
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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