Basic information
- CAS
134271-76-4- Standard SMILES
O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1- InChIKey
LCASUCZQFAYAPF-UHFFFAOYSA-N- Molecular formula
- C15H10N2O5
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.05897142
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(3-nitrophenyl)-1-(4-nitrophenyl)-, (2E)-
- IUPAC
- 3-(3-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
134271-76-42-Propen-1-one, 3-(3-nitrophenyl)-1-(4-nitrophenyl)-, (2E)-DTXSID10326905RefChem:266151DTXCID302780183-(3-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-oneAKOS030241077NCI60_0062423-(3-nitrophenyl)-1-(4-nitrophenyl) prop-2-en-1-one
Database identifiers
- CAS
134271-76-4- PubChem CID
- 359808
- DTXSID
DTXSID10326905
Properties
Computed structural properties
- XLogP
- 3.3
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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