Basic information
- CAS
129661-60-5- Standard SMILES
COc1ccc(N=Cc2ncc([N+](=O)[O-])n2C)cc1- InChIKey
JKVRMNBSCZQEPV-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- 4-Methoxy-N-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)benzenamine
- IUPAC
- N-(4-methoxyphenyl)-1-(1-methyl-5-nitroimidazol-2-yl)methanimine
Names & synonyms
4-Methoxy-N-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)benzenamine129661-60-5
Database identifiers
- CAS
129661-60-5- PubChem CID
- 148153
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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