Basic information
- CAS
30071-42-2- Standard SMILES
COc1cc(OC)c([N+](=O)[O-])cc1C(=O)/C=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
UVZFZILQGWFPRS-ONEGZZNKSA-N- Molecular formula
- C17H13N3O10
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 419.06009362
Names & identifiers
- Preferred name
- Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-
- IUPAC
- (E)-1-(2,4-dimethoxy-5-nitrophenyl)-3-(4-hydroxy-3,5-dinitrophenyl)prop-2-en-1-one
Names & synonyms
Chalcone, 2',4'-dimethoxy-4-hydroxy-3,5,5'-trinitro-30071-42-2RefChem:10813962',4'-Dimethoxy-4-hydroxy-3,5,5'-trinitrochalcone4-Idrossi-2',4'-dimetossi-3,5,5'-trinitrocalcone [Italian]4-Idrossi-2',4'-dimetossi-3,5,5'-trinitrocalcone
Database identifiers
- CAS
30071-42-2- PubChem CID
- 6444934
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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