Basic information
- CAS
338779-44-5- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1N1N=N1- InChIKey
ZEFBKMZTYMSNQL-UHFFFAOYSA-N- Molecular formula
- C15H10N4O3
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.07529019
Names & identifiers
- Preferred name
- 3-(4-nitrophenyl)-1-[2-(1H-triaziren-1-yl)phenyl]-2-propen-1-one
- IUPAC
- 3-(4-nitrophenyl)-1-[2-(triazirin-1-yl)phenyl]prop-2-en-1-one
Names & synonyms
DTXSID901172263AKOS0302452383-(4-Nitrophenyl)-1-[2-(1H-triazirin-1-yl)phenyl]-2-propen-1-one3-(4-Nitrophenyl)-1-[2-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
Database identifiers
- CAS
338779-44-5- PubChem CID
- 3777656
- DTXSID
DTXSID901172263
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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