Basic information
- CAS
7509-21-9- Standard SMILES
CC(=CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
HXMPVEPHANHNOR-UHFFFAOYSA-N- Molecular formula
- C16H12N2O5
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.07462149
Names & identifiers
- Preferred name
- 1,3-Bis(4-nitrophenyl)but-2-en-1-one
- IUPAC
- 1,3-bis(4-nitrophenyl)but-2-en-1-one
Database identifiers
- CAS
7509-21-9- PubChem CID
- 348149
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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