5-Nitro-2-(4-nitrophenyl)-1-benzofuran
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Basic information
- CAS
84102-50-1- Standard SMILES
O=[N+]([O-])c1ccc(-c2cc3cc([N+](=O)[O-])ccc3o2)cc1- InChIKey
LBIGRTHIMGBGNI-UHFFFAOYSA-N- Molecular formula
- C14H8N2O5
- Average molar mass
- 284.22 g/mol
- Monoisotopic mass
- 284.04332136
Names & identifiers
- Preferred name
- 5-Nitro-2-(4-nitrophenyl)-1-benzofuran
- IUPAC
- 5-nitro-2-(4-nitrophenyl)-1-benzofuran
- English name
- 5-nitro-2-(4-nitrophenyl)benzofuran
- Molecular formula
- C14H8N2O5
- Molecular weight
- 284.22
Names & synonyms
5-Nitro-2-(4-nitrophenyl)-1-benzofuran84102-50-1DTXSID80510516RefChem:304385DTXCID904613235-NITRO-2-(4-NITROPHENYL)BENZOFURANSCHEMBL7823812LBIGRTHIMGBGNI-UHFFFAOYSA-N2-(p-nitrophenyl)-5-nitrobenzofuraneDA-41246Benzofuran, 5-nitro-2-(4-nitrophenyl)-
Database identifiers
- CAS
84102-50-1- PubChem CID
- 12813601
- DTXSID
DTXSID80510516
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 280 · 280-281 °C
- Boiling point
- 481.8 · 481.8±30.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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