Basic information
- CAS
6200-65-3- Standard SMILES
Cc1nc([N+](=O)[O-])n(C)c1C- InChIKey
KGAOHUFMWYKBMY-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-nitro-1,4,5-trimethyl-
- IUPAC
- 1,4,5-trimethyl-2-nitroimidazole
Names & synonyms
1,4,5-Trimethyl-2-nitroimidazole1H-Imidazole, 2-nitro-1,4,5-trimethyl-BRN 05130532-Nitro-1,4,5-trimethyl-1H-imidazole6200-65-3DTXSID602110545-23-05-00181 (Beilstein Handbook Reference)RefChem:238059DTXCID60133545SCHEMBL49602211,4,5-trimethyl-2-nitro-1H-imidazole
Database identifiers
- CAS
6200-65-3- PubChem CID
- 201544
- DTXSID
DTXSID60211054
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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