2,4-Dinitro-1-benzofuran
Basic information
- CAS
69227-68-5- Standard SMILES
O=[N+]([O-])c1cc2c([N+](=O)[O-])cccc2o1- InChIKey
MOECQHRJENTFOF-UHFFFAOYSA-N- Molecular formula
- C8H4N2O5
- Average molar mass
- 208.13 g/mol
- Monoisotopic mass
- 208.01202123
Names & identifiers
- Preferred name
- 2,4-Dinitro-1-benzofuran
- IUPAC
- 2,4-dinitro-1-benzofuran
Names & synonyms
2,4-dinitro-1-benzofuranNSC32912769227-68-52,4-dinitrobenzofuranCHEMBL1987400DTXSID90318348NSC-329127NCI60_002870
Database identifiers
- CAS
69227-68-5- PubChem CID
- 332391
- DTXSID
DTXSID90318348- ChEMBL
CHEMBL1987400
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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