1H-Imidazole, 2-((2,2-dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro-
Basic information
- CAS
139157-69-0- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=C1COC(C)(C)OC1- InChIKey
WFPDWUDPNTZURJ-UHFFFAOYSA-N- Molecular formula
- C11H15N3O4
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.10625597
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-((2,2-dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro-
- IUPAC
- 2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitroimidazole
Names & synonyms
139157-69-01H-Imidazole, 2-((2,2-dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro-2-((2,2-Dimethyl-1,3-dioxan-5-ylidene)methyl)-1-methyl-5-nitro-1H-imidazole2-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-1-methyl-5-nitro-1H-imidazoleBRN 4813309DTXSID50160941
Database identifiers
- CAS
139157-69-0- PubChem CID
- 197307
- DTXSID
DTXSID50160941- Nikkaji
- J457.237H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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