Basic information
- Standard SMILES
O=C1c2ccc([N+](=O)[O-])cc2COc2cc(Nc3ccc(F)cc3[N+](=O)[O-])ccc21- InChIKey
JLXFSAHXUYNOTA-UHFFFAOYSA-N- Molecular formula
- C20H12FN3O6
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 409.07101327
Names & identifiers
- Preferred name
- 3-(4-Fluoro-2-nitrophenylamino)-8-nitro-6H-dibenzo[b,e]oxepin-11-one
- IUPAC
- 3-(4-fluoro-2-nitroanilino)-8-nitro-6H-benzo[c][1]benzoxepin-11-one
Names & synonyms
SCHEMBL2319223JLXFSAHXUYNOTA-UHFFFAOYSA-N3-(4-Fluoro-2-nitrophenylamino)-8-nitro-6H-dibenzo[b,e]oxepin-11-one
Database identifiers
- PubChem CID
- 86664810
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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