7-Methoxy-2-nitronaphtho(1,2-b)furan
Basic information
- CAS
117661-44-6- Standard SMILES
COc1ccc2c(ccc3cc([N+](=O)[O-])oc32)c1- InChIKey
LDGAJOJFQNADOZ-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- 7-Methoxy-2-nitronaphtho(1,2-b)furan
- IUPAC
- 7-methoxy-2-nitrobenzo[g][1]benzofuran
Names & synonyms
7-Methoxy-2-nitronaphtho(1,2-b)furanNaphtho(1,2-b)furan, 7-methoxy-2-nitro-117661-44-67-METHOXY-2-NITRONAPHTHO[1,2-B]FURANDTXSID60151860
Database identifiers
- CAS
117661-44-6- PubChem CID
- 147222
- DTXSID
DTXSID60151860
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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