1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
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Basic information
- CAS
5400-95-3- Standard SMILES
O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
MIVNAJMLVLKIJI-UHFFFAOYSA-N- Molecular formula
- C15H11NO4
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.06880783
Names & identifiers
- Preferred name
- 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
- IUPAC
- 1-(4-nitrophenyl)-3-phenylpropane-1,3-dione
- English name
- 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione
- Molecular formula
- C15H11NO4
- Molecular weight
- 269.25
Names & synonyms
5400-95-31-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione1-(4-Nitrophenyl)-3-phenyl-1,3-propanedioneDTXSID202788801,3-Propanedione, 1-(p-nitrophenyl)-3-phenyl-RefChem:225518DTXCID90230036MIVNAJMLVLKIJI-UHFFFAOYSA-N1-(4-nitrophenyl)-3-phenylpropane-1,3-dioneNSC10412p-NitrodibenzoylmethanCambridge id 5213825
Show more names
1,3-Propanedione, 1-(4-nitrophenyl)-3-phenyl-
SCHEMBL9207986NSC 10412NSC-10412
Database identifiers
- CAS
5400-95-3- PubChem CID
- 223148
- DTXSID
DTXSID20278880- Nikkaji
- J1.228.419E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 465.1 · 465.1±25.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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