Basic information
- Standard SMILES
O=C(O)c1sc2ccc(Br)cc2c1-c1ccccc1- InChIKey
NUJDHRDYMWAOCS-UHFFFAOYSA-N- Molecular formula
- C15H9BrO2S
- Average molar mass
- 333.2 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-3-phenylbenzo[b]thiophene-2-carboxylic acid
- IUPAC
- 5-bromo-3-phenyl-1-benzothiophene-2-carboxylic acid
Names & synonyms
SCHEMBL11625359NUJDHRDYMWAOCS-UHFFFAOYSA-N5-Bromo-3-phenylbenzo[b]thiophene-2-carboxylic acid5-Bromo-3-phenylbenzo [b ]thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 22763468
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
6 records
Compound notes
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