Basic information
- CAS
25870-67-1- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
VVTIIOZTCXSWKR-UHFFFAOYSA-N- Molecular formula
- C15H10N2O5
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.05897142
Names & identifiers
- Preferred name
- 1,3-Bis(4-nitrophenyl)prop-2-en-1-one
- IUPAC
- 1,3-bis(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
1,3-bis(4-nitrophenyl)prop-2-en-1-one4,4'-dinitro-chalconeSCHEMBL6733854VVTIIOZTCXSWKR-UHFFFAOYSA-N
Database identifiers
- CAS
25870-67-1- PubChem CID
- 33192
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
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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