Basic information
- CAS
1698-56-2- Standard SMILES
O=c1cc(Cl)c(=O)n(-c2ccccc2)[nH]1- InChIKey
YCPIRMGJYIWVBI-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 5-Chloro-1-phenyl-1,2-dihydro-3,6-pyridazinedione
- IUPAC
- 4-chloro-2-phenyl-1H-pyridazine-3,6-dione
Names & synonyms
1698-56-25-Chloro-1-phenyl-1,2-dihydro-3,6-pyridazinedioneNSC 19457DTXSID40168754RefChem:302229DTXCID8091245NSC194574-chloro-2-phenyl-1H-pyridazine-3,6-dione5-chloro-1-phenyl-1,2-dihydropyridazine-3,6-dioneOprea1_0893103,6-Pyridazinedione,5-chloro-1,2-dihydro-1-phenyl-NSC-19457
Show more names
DS-013980
Database identifiers
- CAS
1698-56-2- PubChem CID
- 227600
- DTXSID
DTXSID40168754
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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