Basic information
- CAS
347379-49-1- Standard SMILES
COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1Cl- InChIKey
LZASHNHZYWCKMU-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O2
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.0822054
Names & identifiers
- Preferred name
- 4-[(3-Chloro-4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(3-chloro-4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
- English name
- 4-(3-chloro-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C18H15ClN2O2
- Molecular weight
- 326.78
Names & synonyms
4-(3-chloro-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
347379-49-1- PubChem CID
- 847968
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 479.678 · 479.678±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.239 · 1.239±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.282 · -0.282±0.40(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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