N-(4-methoxyphenyl)-2,5-dinitrofluoren-9-imine
Basic information
- CAS
5455-07-2- Standard SMILES
COc1ccc(N=C2c3cc([N+](=O)[O-])ccc3-c3c2cccc3[N+](=O)[O-])cc1- InChIKey
CGJSGSMAQFBMNJ-UHFFFAOYSA-N- Molecular formula
- C20H13N3O5
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 375.08552052
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-2,5-dinitrofluoren-9-imine
- IUPAC
- N-(4-methoxyphenyl)-2,5-dinitrofluoren-9-imine
- English name
- 2,5-DINITRO-9-(4-METHOXYPHENYLIMINO)FLUORENE
- Molecular formula
- C20H13N3O5
- Molecular weight
- 375.33
Names & synonyms
N-(4-methoxyphenyl)-2,5-dinitrofluoren-9-iminen-[(9e)-2,5-dinitro-9h-fluoren-9-ylidene]-4-methoxyaniline5455-07-2NSC23295NSC-23295AKOS0244320192,5-DINITRO-9-(4-METHOXYPHENYLIMINO)FLUORENEBenzenamine, N-(2,5-dinitro-9H-fluoren-9-ylidene)-4-methoxy-
Database identifiers
- CAS
5455-07-2- PubChem CID
- 229541
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Boiling point
- 574.8 · 574.8±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 1.19 · 1.19±0.20(Predicted)
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Compound notes
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