Basic information
- CAS
1261952-26-4- Standard SMILES
O=Cc1cc(-c2cc(O)cc(OC(F)(F)F)c2)cs1- InChIKey
IBCNLWINQCPKED-UHFFFAOYSA-N- Molecular formula
- C12H7F3O3S
- Average molar mass
- 288.24 g/mol
- Monoisotopic mass
- 288.00679974
Names & identifiers
- Preferred name
- 4-[3-Hydroxy-5-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
- IUPAC
- 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
Names & synonyms
1261952-26-44-[3-hydroxy-5-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde5-(2-FORMYLTHIOPHEN-4-YL)-3-TRIFLUOROMETHOXYPHENOLMFCD183162585-(2-Formylthiophen-4-yl)-3-trifluoromethoxyphenol, 95%DTXSID40686569
Database identifiers
- CAS
1261952-26-4- PubChem CID
- 53221981
- DTXSID
DTXSID40686569
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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