Basic information
- CAS
1152-48-3- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
QLXBMZAOTHBHSM-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 1-(4-Nitro-phenyl)-3-phenyl-propenone
- IUPAC
- 1-(4-nitrophenyl)-3-phenylprop-2-en-1-one
- English name
- 4Nitrochalcone
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
1-(4-Nitro-phenyl)-3-phenyl-propenoneMLS0026376824NITROCHALCONECBMicro_009250SCHEMBL521695CHEMBL1698427DTXSID501031360HMS3085K21PD150339SMR001547205DB-025495DS-000256
Show more names
Styryl 4-nitrophenyl ketoneStyryl(4-nitrophenyl) ketone4NITROCHALCONE(4'-NITROISOMER)β-Phenyl-4'-nitroacrylophenone1-(4-Nitrophenyl)-3-phenyl-2-propen-1-one
N13511-(4-nitrophenyl)-3-phenyl-prop-2-en-1-one2-Propen-1-one,1-(4-nitrophenyl)-3-phenyl-
Database identifiers
- CAS
1152-48-3- PubChem CID
- 95353
- DTXSID
DTXSID501031360- ChEMBL
CHEMBL1698427
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 144 · 144-146 °C
- Boiling point
- 440.954 · 440.954±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
菏泽丽泽生物科技有限公司10-15853052 15853052030 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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