Basic information
- CAS
35687-44-6- Standard SMILES
COc1c([N+](=O)[O-])nc(C)n1C- InChIKey
STAKOPCWRVTYFP-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- 5-Methoxy-1,2-dimethyl-4-nitro-1H-imidazole
- IUPAC
- 5-methoxy-1,2-dimethyl-4-nitroimidazole
Names & synonyms
5-METHOXY-1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE35687-44-6DTXSID90189191
Database identifiers
- CAS
35687-44-6- PubChem CID
- 37221
- DTXSID
DTXSID90189191- Nikkaji
- J1.618.349K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
LogP-0.09
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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