(4-Imidazol-1-yl-3-nitrophenyl)-phenylmethanone
Basic information
- CAS
851797-61-0- Standard SMILES
O=C(c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1- InChIKey
JVXBEKWPVLARKV-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- (4-Imidazol-1-yl-3-nitrophenyl)-phenylmethanone
- IUPAC
- (4-imidazol-1-yl-3-nitrophenyl)-phenylmethanone
Names & synonyms
(4-imidazol-1-yl-3-nitrophenyl)-phenylmethanoneMLS001233762CHEMBL1388459DTXSID401319761HMS2887F20AKOS001085993851797-61-0SMR000591611SR-01000064521SR-01000064521-1Z64579897[4-(1H-Imidazol-1-yl)-3-nitrophenyl](phenyl)methanone
Database identifiers
- CAS
851797-61-0- PubChem CID
- 4884020
- DTXSID
DTXSID401319761- ChEMBL
CHEMBL1388459
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility34.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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