4,6-Dichloropyridazine-3-carboxylic acid methyl ester

C₆H₄Cl₂N₂O₂CAS 372118-01-9207.01 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₄Cl₂N₂O₂
Molar mass: 207.01 g/mol
Exact mass: 205.9650 Da
logP: 1.57Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

372118-01-9

SMILES

COC(=O)c1nnc(Cl)cc1Cl

InChIKey

MZEVRGMQXLNKEZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3

Weigh it out

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

Names and synonyms

3 names

3-Pyridazinecarboxylic acid, 4,6-dichloro-, methyl ester
3-Methoxycarbonyl-4,6-dichloropyridazine
Methyl 4,6-dichloropyridazine-3-carboxylate

Work with 4,6-Dichloropyridazine-3-carboxylic acid methyl ester

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

4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-454 % similar Methyl 6-chloropyridazine-4-carboxylate1093860-48-054 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-054 % similar Methyl 2,6-dichloroisonicotinate42521-09-551 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-250 % similar Methyl 2-chlorobenzoate610-96-847 % similar Methyl 2-chloroisonicotinate58481-11-146 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-446 % similar

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

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 2,5-Dichloro-4-nitrobenzenamine6627-34-5 4,5-Dichloro-2-nitrobenzenamine6641-64-1 2,6-Dichloro-4-nitroaniline99-30-9

Elsewhere

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