3-Fluoro-5-phenyl-benzo[b]thiophene-2-carboxylic acid
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Basic information
- Standard SMILES
O=C(O)c1sc2ccc(-c3ccccc3)cc2c1F- InChIKey
FELUWIWSJCUUMF-UHFFFAOYSA-N- Molecular formula
- C15H9FO2S
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.03072886
Names & identifiers
- Preferred name
- 3-Fluoro-5-phenyl-benzo[b]thiophene-2-carboxylic acid
- IUPAC
- 3-fluoro-5-phenyl-1-benzothiophene-2-carboxylic acid
Names & synonyms
SCHEMBL120330FELUWIWSJCUUMF-UHFFFAOYSA-N3-Fluoro-5-phenyl-benzo[b]thiophene-2-carboxylic acid3-Fluoro-5-phenylbenzo[b]thiophene-2-carboxylic acid1252780-50-9
Database identifiers
- PubChem CID
- 59625825
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
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Related reactions
23 records
Compound notes
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