2-(4-Nitrophenyl)-5-oxo-3,5-diphenylpentanenitrile
Basic information
- CAS
5339-82-2- Standard SMILES
N#CC(c1ccc([N+](=O)[O-])cc1)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
WRMHSUWVRRMXIN-UHFFFAOYSA-N- Molecular formula
- C23H18N2O3
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.13174244
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-5-oxo-3,5-diphenylpentanenitrile
- IUPAC
- 2-(4-nitrophenyl)-5-oxo-3,5-diphenylpentanenitrile
Names & synonyms
MLS0026376985339-82-22-(4-nitrophenyl)-5-oxo-3,5-diphenylpentanenitrileNSC3565CHEMBL1735492DTXSID80277692NSC3566HMS3078E11NSC-3565NSC-3566SMR0015472214-BENZOYL-2-(P-NITROPHENYL)-3-PHENYLBUTYRONITRILE
Database identifiers
- CAS
5339-82-2- PubChem CID
- 220602
- DTXSID
DTXSID80277692- ChEMBL
CHEMBL1735492
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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