Basic information
- Standard SMILES
Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CSc1ccc(OCC(=O)O)c(Cl)c1- InChIKey
OZBSWWXCIIMQOH-UHFFFAOYSA-N- Molecular formula
- C21H16ClF3O4S
- Average molar mass
- 456.9 g/mol
Names & identifiers
- Preferred name
- {2-Chloro-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acid
- IUPAC
- 2-[2-chloro-4-[[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methylsulfanyl]phenoxy]acetic acid
Names & synonyms
{2-chloro-4-[({2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl}methyl)thio]phenoxy}acetic acidSCHEMBL5860781
Database identifiers
- PubChem CID
- 21986464
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 571
Related reactions
1 records
Compound notes
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