Basic information
- CAS
37910-79-5- Standard SMILES
O=C(Cn1ccnc1)c1ccc([N+](=O)[O-])cc1- InChIKey
SBPGWXSTCFNGPY-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.06439116
Names & identifiers
- Preferred name
- 2-Imidazol-1-yl-1-(4-nitrophenyl)ethanone
- IUPAC
- 2-imidazol-1-yl-1-(4-nitrophenyl)ethanone
Names & synonyms
37910-79-52-imidazol-1-yl-1-(4-nitrophenyl)ethanone2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanoneEthanone, 2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)-CHEMBL162549n-(4-nitrophenacyl)imidazole2-(1H-imidazol-1-yl)-1-(4-nitrophenyl)ethan-1-oneS2C8JHS8JXSCHEMBL5730977DTXSID00275594BDBM50240895PD119608
Show more names
2-Imidazol-1-yl-1-(4-nitro-phenyl)-ethanone
Database identifiers
- CAS
37910-79-5- PubChem CID
- 53600
- DTXSID
DTXSID00275594- ChEMBL
CHEMBL162549- UNII
- S2C8JHS8JX
- Nikkaji
- J1.297.018H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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