2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
Basic information
- CAS
163019-37-2- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CC(=O)c1ccccc1- InChIKey
QVIFEVURBPZSHB-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004122
Names & identifiers
- Preferred name
- 2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
- IUPAC
- 2-(2-methyl-5-nitroimidazol-1-yl)-1-phenylethanone
Names & synonyms
2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-phenylethan-1-oneDTXSID801211903163019-37-22-(2-Methyl-5-nitro-1H-imidazol-1-yl)-1-phenylethanone
Database identifiers
- CAS
163019-37-2- PubChem CID
- 10243582
- DTXSID
DTXSID801211903- Nikkaji
- J651.610F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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