Basic information
- CAS
1261921-53-2- Standard SMILES
O=C(O)c1cc(-c2ccc(F)c(C(=O)O)c2)cs1- InChIKey
LQZCTUMOTWJQAH-UHFFFAOYSA-N- Molecular formula
- C12H7FO4S
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.00490804
Names & identifiers
- Preferred name
- 4-(3-Carboxy-4-fluorophenyl)thiophene-2-carboxylic acid
- IUPAC
- 4-(3-carboxy-4-fluorophenyl)thiophene-2-carboxylic acid
Names & synonyms
1261921-53-24-(3-carboxy-4-fluorophenyl)thiophene-2-carboxylic acidDTXSID80690448
Database identifiers
- CAS
1261921-53-2- PubChem CID
- 53226830
- DTXSID
DTXSID80690448
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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