chempirical

4,5-Dichloro-3(2H)-pyridazinone

C4H2Cl2N2OCAS 932-22-9164.97 g/mol

Open in Covalent MOL file
HONNClCl
Aryl halidePhenol

Properties

Molecular formula
C4H2Cl2N2O
Molar mass
164.97 g/mol
Exact mass
163.9544 Da
Melting point
202 °C
logP
1.49Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
932-22-9
SMILES
Oc1nncc(Cl)c1Cl
InChIKey
VJWXIRQLLGYIDI-UHFFFAOYSA-N
InChI
InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 3(2H)-Pyridazinone, 4,5-dichloro-
  • 4,5-Dichloro-3(2H)-pyridazone
  • 4,5-Dichloro-6-pyridazone
  • 4,5-Dichloro-6-oxo-1H-pyridazine
  • 4,5-Dichloro-2H-pyridazin-3-one
  • 4,5-Dichloro-3-hydroxypyridazine
  • NSC 16127
  • NSC 17182
  • NSC 240022
  • 3-Hydroxy-4,5-dichloropyridazine
  • 4,5-Dichloropyridazin-3-ol
  • 4,5-Dichloro-1H-pyridazin-6-one
  • 4,5-Dichloropyridazin-3-one

Work with 4,5-Dichloro-3(2H)-pyridazinone

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

5-Amino-4-chloro-3(2H)-pyridazinone6339-19-159 % similar 3,4,5-Trichloropyridazine14161-11-656 % similar 1(2H)-Phthalazinone119-39-138 % similar 5-Chlorouracil1820-81-138 % similar 3,5-Dichloro-2(1H)-pyridinone5437-33-238 % similar 3,4,5-Trichlorophenol609-19-834 % similar 2,3,5,6-Tetrachlorophenol935-95-534 % similar 3-Bromo-4,5-dichloropyridine1001056-83-234 % similar

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

Elsewhere

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