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Basic information
- CAS
59445-77-1- Standard SMILES
COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c2cc(C(C)=O)oc12- InChIKey
VAPFXZOAMWYTNN-UHFFFAOYSA-N- Molecular formula
- C18H13NO6
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.07428713
Names & identifiers
- Preferred name
- 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one
- IUPAC
- 1-[7-methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethanone
Names & synonyms
59445-77-1NSC205057DTXSID203085751-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-oneNSC-205057
Database identifiers
- CAS
59445-77-1- PubChem CID
- 307206
- DTXSID
DTXSID20308575
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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