Basic information
- CAS
104662-33-1- Standard SMILES
COc1ccc2cc3c(ccc4oc([N+](=O)[O-])cc43)cc2c1- InChIKey
NKJWFDBNFXTQJC-UHFFFAOYSA-N- Molecular formula
- C17H11NO4
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.06880783
Names & identifiers
- Preferred name
- Anthra(2,1-b)furan, 8-methoxy-2-nitro-
- IUPAC
- 8-methoxy-2-nitronaphtho[2,3-e][1]benzofuran
Names & synonyms
Anthra(2,1-b)furan, 8-methoxy-2-nitro-BRN 45155578-Methoxy-2-nitroanthra(2,1-b)furan2-Nitro-8-methoxyanthara(2,1-b)furanR-7707104662-33-1DTXSID101466408-methoxy-2-nitroanthra[2,1-b]furanRefChem:319701DTXCID4069131CHEMBL6922
Database identifiers
- CAS
104662-33-1- PubChem CID
- 149346
- DTXSID
DTXSID10146640- ChEMBL
CHEMBL6922- Nikkaji
- J547.997E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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