Basic information
- CAS
34716-68-2- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(OCn2cnc3ccccc32)cc1- InChIKey
JSGVRLSKJZWSLO-UHFFFAOYSA-N- Molecular formula
- C20H14N6O10
- Average molar mass
- 498.4 g/mol
- Monoisotopic mass
- 498.07714066
Names & identifiers
- Preferred name
- Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate
- IUPAC
- 1-[(4-nitrophenoxy)methyl]benzimidazole;2,4,6-trinitrophenol
Names & synonyms
Benzimidazole, 1-((p-nitrophenoxy)methyl)-, picrate1-((p-Nitrophenoxy)methyl)-benzimidazole picrate34716-68-2DTXSID20188273RefChem:325792DTXCID501107642,4,6-Trinitrophenol--1-[(4-nitrophenoxy)methyl]-1H-1,3-benzimidazole (1/1)
Database identifiers
- CAS
34716-68-2- PubChem CID
- 214976
- DTXSID
DTXSID20188273
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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