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4-[(6-Chloropyridazin-3-yl)oxy]benzaldehyde

HCID 17859705
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
437383-95-4
Standard SMILES
O=Cc1ccc(Oc2ccc(Cl)nn2)cc1
InChIKey
TVXUZNFXRJTIJQ-UHFFFAOYSA-N
Molecular formula
C11H7ClN2O2
Average molar mass
234.64 g/mol
Monoisotopic mass
234.0196052

Names & identifiers

Preferred name
4-[(6-Chloropyridazin-3-yl)oxy]benzaldehyde
IUPAC
4-(6-chloropyridazin-3-yl)oxybenzaldehyde
English name
4-[(6-Chloropyridazin-3-yl)oxy]benzaldehyde
Molecular formula
C11H7ClN2O2
Molecular weight
234.64

Names & synonyms

4-[(6-chloropyridazin-3-yl)oxy]benzaldehyde437383-95-44-((6-Chloropyridazin-3-yl)oxy)benzaldehyde4-(6-chloropyridazin-3-yl)oxybenzaldehydeMFCD17430437benzaldehyde, 4-[(6-chloro-3-pyridazinyl)oxy]-3-Chloro-6-(4-formylphenoxy)pyridazineSCHEMBL5354666TVXUZNFXRJTIJQ-UHFFFAOYSA-NALBB-016901BBL032827SBB083416
Show more names
STL146721AKOS005143014VS-115704-(6-chloropyridazin-3-yloxy)benzaldehydeCS-0320050H31782

Database identifiers

CAS
437383-95-4
PubChem CID
17859705

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
232

Physicochemical properties

HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3,6-Dichloropyridazine4-Hydroxybenzaldehyde

Related reactions

4 records
New reaction record
HRID 347675 reaction equation
HRID 347675As productuspto-grants-2007_02
HRID 347676 reaction equation
HRID 347676As reactantuspto-grants-2007_02
HRID 1208665 reaction equation
HRID 1208665As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1550799 reaction equation
HRID 1550799As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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