5,6-dimethoxy-4,7-dinitro-3H-2-benzofuran-1-one
Basic information
- CAS
90771-85-0- Standard SMILES
COc1c(OC)c([N+](=O)[O-])c2c(c1[N+](=O)[O-])COC2=O- InChIKey
CLCHLWCWHLEFCC-UHFFFAOYSA-N- Molecular formula
- C10H8N2O8
- Average molar mass
- 284.18 g/mol
- Monoisotopic mass
- 284.02806522
Names & identifiers
- Preferred name
- 5,6-dimethoxy-4,7-dinitro-3H-2-benzofuran-1-one
- IUPAC
- 5,6-dimethoxy-4,7-dinitro-3H-2-benzofuran-1-one
Names & synonyms
90771-85-05,6-dimethoxy-4,7-dinitro-3H-2-benzofuran-1-oneNSC72945NCIOpen2_0038305,6-dimethoxy-4,7-dinitro-2-benzofuran-1(3h)-one5,6-Dimethoxy-4,7-dinitro-3H-isobenzofuran-1-oneSCHEMBL1608937DTXSID30291060CLCHLWCWHLEFCC-UHFFFAOYSA-NNSC-72945
Database identifiers
- CAS
90771-85-0- PubChem CID
- 251920
- DTXSID
DTXSID30291060
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…