3(2H)-Pyridazinone, 2-(alpha-(chloromethyl)benzyl)-6-((p-nitrobenzyl)oxy)-
Basic information
- CAS
17088-58-3- Standard SMILES
O=c1ccc(OCc2ccc([N+](=O)[O-])cc2)nn1C(CCl)c1ccccc1- InChIKey
GCNIHRCBZACAAM-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O4
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.0829337
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 2-(alpha-(chloromethyl)benzyl)-6-((p-nitrobenzyl)oxy)-
- IUPAC
- 2-(2-chloro-1-phenylethyl)-6-[(4-nitrophenyl)methoxy]pyridazin-3-one
Names & synonyms
BRN 08561332-(alpha-(Chloromethyl)benzyl)-6-((p-nitrobenzyl)oxy)-3(2H)-pyridazinone17088-58-33(2H)-Pyridazinone, 2-(alpha-(chloromethyl)benzyl)-6-((p-nitrobenzyl)oxy)-RefChem:2695025-25-01-00066 (Beilstein Handbook Reference)DTXSID409378462-(2-Chloro-1-phenylethyl)-6-[(4-nitrophenyl)methoxy]pyridazin-3(2H)-one
Database identifiers
- CAS
17088-58-3- PubChem CID
- 204876
- DTXSID
DTXSID40937846
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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