5-acetyl-3,4-bis(4-fluorophenyl)-1H-pyridazin-6-one
Basic information
- CAS
75643-42-4- Standard SMILES
CC(=O)c1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n[nH]c1=O- InChIKey
KHYPTVAMXRKHPB-UHFFFAOYSA-N- Molecular formula
- C18H12F2N2O2
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.08668395
Names & identifiers
- Preferred name
- 5-acetyl-3,4-bis(4-fluorophenyl)-1H-pyridazin-6-one
- IUPAC
- 5-acetyl-3,4-bis(4-fluorophenyl)-1H-pyridazin-6-one
Names & synonyms
NSC35164475643-42-4CHEMBL30563SCHEMBL11168349DTXSID60319903NSC-3516444-Acetyl-5,6-bis(4-fluorophenyl)pyridazin-3(2H)-one
Database identifiers
- CAS
75643-42-4- PubChem CID
- 336673
- DTXSID
DTXSID60319903- ChEMBL
CHEMBL30563
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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