Basic information
- Standard SMILES
O=C(O)C1(O)CCOc2c(OC(F)(F)F)cc(Cl)cc21- InChIKey
ASDFCCIMTBAXSR-UHFFFAOYSA-N- Molecular formula
- C11H8ClF3O5
- Average molar mass
- 312.62 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-6-chloro-8-trifluoromethoxychroman-4-yl carboxylic acid
- IUPAC
- 6-chloro-4-hydroxy-8-(trifluoromethoxy)-2,3-dihydrochromene-4-carboxylic acid
Names & synonyms
4-Hydroxy-6-chloro-8-trifluoromethoxychroman-4-yl carboxylic acidSCHEMBL5399150
Database identifiers
- PubChem CID
- 22708342
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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