chempirical

4,5-Dibromo-2-phenyl-3(2H)-pyridazinone

C10H6Br2N2OCAS 14305-08-9329.98 g/mol

Open in Covalent MOL file
OBrBrNN
Aryl halide

Properties

Molecular formula
C10H6Br2N2O
Molar mass
329.98 g/mol
Exact mass
327.8847 Da
Melting point
142–143 °C
logP
2.76Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
14305-08-9
SMILES
O=c1c(Br)c(Br)cnn1-c1ccccc1
InChIKey
NQJXEMRMTOSSBQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H

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Names and synonyms

2 names
  • 3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-
  • 2-Phenyl-4,5-dibromo-3(2H)-pyridazinone

Work with 4,5-Dibromo-2-phenyl-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

4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-950 % similar Chloridazon1698-60-848 % similar 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-335 % similar 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-034 % similar 1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-D]pyrimidin-4-one21314-17-033 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-132 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-732 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-431 % similar

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

Elsewhere

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