Basic information
- CAS
34703-78-1- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.OCCOCn1cnc2ccccc21- InChIKey
QOOCOMXOYDIPNL-UHFFFAOYSA-N- Molecular formula
- C16H15N5O9
- Average molar mass
- 421.32 g/mol
- Monoisotopic mass
- 421.08697707
Names & identifiers
- Preferred name
- Ethanol, 2-(1-benzimidazolylmethoxy)-, picrate
- IUPAC
- 2-(benzimidazol-1-ylmethoxy)ethanol;2,4,6-trinitrophenol
Names & synonyms
Ethanol, 2-(1-benzimidazolylmethoxy)-, picrate2-(1-Benzimidazolylmethoxy)ethanol picrate34703-78-1DTXSID10188262RefChem:340811DTXCID401107532,4,6-Trinitrophenol--2-[(1H-1,3-benzimidazol-1-yl)methoxy]ethan-1-ol (1/1)
Database identifiers
- CAS
34703-78-1- PubChem CID
- 214972
- DTXSID
DTXSID10188262
Properties
Computed structural properties
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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