Basic information
- CAS
243977-26-6- Standard SMILES
O=C(O)c1cc(-c2ccccc2Cl)oc1C(F)(F)F- InChIKey
IOFLJWSDJUXMQP-UHFFFAOYSA-N- Molecular formula
- C12H6ClF3O3
- Average molar mass
- 290.62 g/mol
- Monoisotopic mass
- 289.9957562
Names & identifiers
- Preferred name
- 5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic Acid
- IUPAC
- 5-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
- English name
- 5-(2-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID
- Molecular formula
- C12H6ClF3O3
- Molecular weight
- 290.62
Names & synonyms
243977-26-65-(2-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic Acid5-(2-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACIDSCHEMBL13982879DTXSID60371501IOFLJWSDJUXMQP-UHFFFAOYSA-NMB017755-(2-chlorophenyl)-2-(trifluoromethyl)-3-Furancarboxylic acid3-Furancarboxylic acid, 5-(2-chlorophenyl)-2-(trifluoromethyl)-
Database identifiers
- CAS
243977-26-6- PubChem CID
- 2736642
- DTXSID
DTXSID60371501
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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