Basic information
- CAS
20115-34-8- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1- InChIKey
ZJHSNOFKEHUVCI-UHFFFAOYSA-N- Molecular formula
- C12H7ClN2O5
- Average molar mass
- 294.65 g/mol
- Monoisotopic mass
- 294.004349
Names & identifiers
- Preferred name
- Dncde
- IUPAC
- 4-chloro-2-nitro-1-(4-nitrophenoxy)benzene
- English name
- 4-Chloro-2-nitro-1-(4-nitrophenoxy)benzene
- Molecular formula
- C12H7ClN2O5
- Molecular weight
- 294.65
Names & synonyms
DNCDE20115-34-84-chloro-2-nitro-1-(4-nitrophenoxy)benzeneSCHEMBL11475236DTXSID10173931Benzene, 4-chloro-2-nitro-1-(4-nitrophenoxy)-
Database identifiers
- CAS
20115-34-8- PubChem CID
- 29951
- DTXSID
DTXSID10173931- Nikkaji
- J11.011F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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