5-(3-methyl-4-nitrophenyl)-1H-imidazole
Basic information
- CAS
89250-09-9- Standard SMILES
Cc1cc(-c2cnc[nH]2)ccc1[N+](=O)[O-]- InChIKey
PQTFWMMEFNXLBL-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 5-(3-methyl-4-nitrophenyl)-1H-imidazole
- IUPAC
- 5-(3-methyl-4-nitrophenyl)-1H-imidazole
Names & synonyms
89250-09-94-(3-METHYL-4-NITROPHENYL)-1H-IMIDAZOLE5-(3-methyl-4-nitrophenyl)-1H-imidazoleDTXSID60603490PQTFWMMEFNXLBL-UHFFFAOYSA-N4-(3-Methyl-4-nitrophenyl)-1-H-imidazoleEN300-1822682
Database identifiers
- CAS
89250-09-9- PubChem CID
- 20201839
- DTXSID
DTXSID60603490
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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