Basic information
- CAS
97814-23-8- Standard SMILES
COc1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1- InChIKey
ANVHMFVESKFTAM-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.09569129
Names & identifiers
- Preferred name
- 1H-Imidazole, 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-
- IUPAC
- 1-(4-methoxyphenyl)-4-(4-nitrophenyl)imidazole
Names & synonyms
1H-Imidazole, 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-97814-23-8DTXSID502432631-(4-Methoxyphenyl)-4-(4-nitrophenyl)-1H-imidazole
Database identifiers
- CAS
97814-23-8- PubChem CID
- 178987
- DTXSID
DTXSID50243263
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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