Chalcone, 3',4-dinitro-
Basic information
- CAS
30071-44-4- Standard SMILES
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1- InChIKey
MKIFWDWOGFZNTR-RMKNXTFCSA-N- Molecular formula
- C15H10N2O5
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.05897142
Names & identifiers
- Preferred name
- Chalcone, 3',4-dinitro-
- IUPAC
- (E)-1-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
- English name
- 2-Propen-1-one, 1-(3-nitrophenyl)-3-(4-nitrophenyl)-
- Molecular formula
- C15H10N2O5
- Molecular weight
- 298.25
Names & synonyms
Chalcone, 3',4-dinitro-30071-44-4RefChem:1081399CHEMBL4712533',4-Dinitrochalcone3',4-Dinitrocalcone3',4-Dinitrocalcone [Italian]SCHEMBL7454702MKIFWDWOGFZNTR-RMKNXTFCSA-NBDBM50278196AKOS000953900WR-226212
Show more names
3-(4-NITRO-PHENYL)-1-(3-NITRO-PHENYL)-PROPENONE2-Propen-1-one, 1-(3-nitrophenyl)-3-(4-nitrophenyl)-
1-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-en-1-one1-[3-Nitrophenyl]-3-[4-nitrophenyl]-2-propen-1-one(2E)-1-(3-Nitrophenyl)-3-(4-nitrophenyl)-2-propen-1-one #
Database identifiers
- CAS
30071-44-4- PubChem CID
- 5378133
- ChEMBL
CHEMBL471253
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 205.5 °C · 205.5 °C
- Boiling point
- 473.6 · 473.6±45.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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