Basic information
- CAS
5509-73-9- Standard SMILES
CCOc1cnn(-c2ccccc2)c(=O)c1Cl- InChIKey
WVTBPXHUBFHCQN-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0509053
Names & identifiers
- Preferred name
- 4-Chloro-5-ethoxy-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4-chloro-5-ethoxy-2-phenylpyridazin-3-one
- English name
- 4-Chloro-5-ethoxy-2-phenyl-3(2H)-pyridazinone
- Molecular formula
- C12H11ClN2O2
- Molecular weight
- 250.68
Names & synonyms
5509-73-94-Chloro-5-ethoxy-2-phenyl-3(2H)-pyridazinone4-chloro-5-ethoxy-2-phenylpyridazin-3(2H)-one4-chloro-5-ethoxy-2-phenylpyridazin-3-oneNSC66083MFCD00097475BQW2K9H9FXNSC-660834-chloro-5-ethoxy-2-phenyl-pyridazin-3-oneNSC 66083pyridazinone, 2-35UNII-BQW2K9H9FX
Show more names
3(2H)-Pyridazinone, 4-chloro-5-ethoxy-2-phenyl-
Cambridge id 5354837NCIOpen2_003193MLS001181429CHEMBL593305SCHEMBL14606574-chloro-5-ethoxy-2-phenyl-2,3-dihydropyridazin-3-oneBDBM33348DTXSID00203610
Database identifiers
- CAS
5509-73-9- PubChem CID
- 248680
- DTXSID
DTXSID00203610- ChEMBL
CHEMBL593305- UNII
- BQW2K9H9FX
- Nikkaji
- J1.401.180C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility30.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- FDA UNII
- 2 K9H9FX · BQW2K9H9FX
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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