Basic information
- CAS
329227-28-3- Standard SMILES
COc1ccc(C=NNc2cn[nH]c(=O)c2Cl)c(OC)c1- InChIKey
SJTKCHOHVWCUJV-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O3
- Average molar mass
- 308.72 g/mol
- Monoisotopic mass
- 308.067618
Names & identifiers
- Preferred name
- 5-chloro-4-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
- IUPAC
- 5-chloro-4-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
- English name
- 2,4-dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazone
- Molecular formula
- C13H13ClN4O3
- Molecular weight
- 308.72
Names & synonyms
4-chloro-5-{2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl}pyridazin-3(2H)-one2,4-dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazoneBenzaldehyde, 2,4-dimethoxy-, 2-(5-chloro-1,6-dihydro-6-oxo-4-pyridazinyl)hydrazone
Database identifiers
- CAS
329227-28-3- PubChem CID
- 2790371
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.60(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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