chempirical

4,6-Dichloro-3-pyridazinecarboxylic acid

C5H2Cl2N2O2CAS 1040246-87-4192.98 g/mol

Open in Covalent MOL file
NNClOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H2Cl2N2O2
Molar mass
192.98 g/mol
Exact mass
191.9493 Da
logP
1.48Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1040246-87-4
SMILES
C1=C(C(=NN=C1Cl)C(=O)O)Cl
InChIKey
CYHNQEXUXBNNEI-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N2O2/c6-2-1-3(7)8-9-4(2)5(10)11/h1H,(H,10,11)

Weigh it out

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Names and synonyms

1 names
  • 4,6-Dichloropyridazine-3-carboxylic acid

Work with 4,6-Dichloro-3-pyridazinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clopyralid1702-17-654 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-954 % similar 6-Chloro-3-pyridazinecarboxylic acid5096-73-153 % similar 4,6-Dichloronicotinic acid73027-79-953 % similar 2,5-Dichloroisonicotinic acid88912-26-949 % similar 2,6-Dichloroisonicotinic acid5398-44-747 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-147 % similar 4,5-Dichlorophthalic acid56962-08-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dichloro-3-nitropyridine16013-85-7 2,5-Dichloro-3-nitropyridine21427-62-3 2,3-Dichloro-5-nitropyridine22353-40-8

Elsewhere

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