Basic information
- CAS
89266-49-9- Standard SMILES
COc1ccc2oc(-c3ccc([N+](=O)[O-])o3)cc2c1- InChIKey
ZQQNGMTTWDPHPT-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Names & identifiers
- Preferred name
- Benzofuran, 5-methoxy-2-(5-nitro-2-furanyl)-
- IUPAC
- 5-methoxy-2-(5-nitrofuran-2-yl)-1-benzofuran
Names & synonyms
BENZOFURAN, 5-METHOXY-2-(5-NITRO-2-FURANYL)-89266-49-9R 7380BRN 50725335-Methoxy-2-(5-nitro-2-furyl)benzofuran5-Methoxy-2-(5-nitro-2-furanyl)benzofuran5-methoxy-2-(5-nitrofuran-2-yl)-1-benzofuranCHEMBL7116DTXSID00237596
Database identifiers
- CAS
89266-49-9- PubChem CID
- 55932
- DTXSID
DTXSID00237596- ChEMBL
CHEMBL7116
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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