Basic information
- CAS
57709-78-1- Standard SMILES
O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1- InChIKey
NYELGOLMOADWJG-UHFFFAOYSA-N- Molecular formula
- C20H13N3O3
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.09569129
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-4-phenylphthalazin-1-one
- IUPAC
- 2-(4-nitrophenyl)-4-phenylphthalazin-1-one
Names & synonyms
2-(4-nitrophenyl)-4-phenylphthalazin-1-oneOprea1_634863Oprea1_7708132-(4-Nitrophenyl)-4-phenyl-1(2H)-phthalazinoneDTXSID601245483AKOS00052013557709-78-1ST511820902-(4-Nitrophenyl)-4-phenylphthalazin-1(2H)-one
Database identifiers
- CAS
57709-78-1- PubChem CID
- 830609
- DTXSID
DTXSID601245483
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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