5-Methoxy-3-methyl-6-nitro-1-benzofuran
Basic information
- CAS
53725-26-1- Standard SMILES
COc1cc2c(C)coc2cc1[N+](=O)[O-]- InChIKey
WGESUNJNJOTXFH-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 5-Methoxy-3-methyl-6-nitro-1-benzofuran
- IUPAC
- 5-methoxy-3-methyl-6-nitro-1-benzofuran
Names & synonyms
53725-26-15-methoxy-3-methyl-6-nitro-1-benzofuranNSC1707095-methoxy-3-methyl-6-nitrobenzo[b]furanDTXSID80305409NSC-170709
Database identifiers
- CAS
53725-26-1- PubChem CID
- 298522
- DTXSID
DTXSID80305409
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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