2-Thiophen-2-yl-benzoxazole-6-carbaldehyde
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Basic information
- Standard SMILES
O=Cc1ccc2nc(-c3cccs3)oc2c1- InChIKey
OHZBCEQWWNGKPB-UHFFFAOYSA-N- Molecular formula
- C12H7NO2S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.01974964
Names & identifiers
- Preferred name
- 2-Thiophen-2-yl-benzoxazole-6-carbaldehyde
- IUPAC
- 2-thiophen-2-yl-1,3-benzoxazole-6-carbaldehyde
Names & synonyms
2-thiophen-2-yl-benzoxazole-6-carbaldehydeSCHEMBL2586944OHZBCEQWWNGKPB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 82036610
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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Related reactions
2 records
Compound notes
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