3,4-Dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazone
Basic information
- CAS
6954-03-6- Standard SMILES
COc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1OC- InChIKey
AFGYARYQKBZNCK-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O3
- Average molar mass
- 308.72 g/mol
- Monoisotopic mass
- 308.067618
Names & identifiers
- Preferred name
- 3,4-Dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazone
- IUPAC
- 5-chloro-4-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
- English name
- 3,4-dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazone
- Molecular formula
- C13H13ClN4O3
- Molecular weight
- 308.72
Names & synonyms
6954-03-6NSC690303,4-dimethoxybenzaldehyde (5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)hydrazone5-chloro-4-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-oneNSC-69030AKOS001645906ST50190841AB00672956-01AF-399/40714853SR-01000110399SR-01000110399-1(Z)-4-chloro-5-(2-(3,4-dimethoxybenzylidene)hydrazinyl)pyridazin-3(2H)-one
Show more names
Benzaldehyde, 3,4-dimethoxy-, 2-(5-chloro-1,6-dihydro-6-oxo-4-pyridazinyl)hydrazone
5-{[(1Z)-2-(3,4-dimethoxyphenyl)-1-azavinyl]amino}-4-chloro-2-hydropyridazin-3 -one
Database identifiers
- CAS
6954-03-6- PubChem CID
- 5774311
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
- 9.17 · 9.17±0.60(Predicted)
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Related reactions
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Compound notes
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