Isopropanyl 2,4-dichloropyrimidine-5-carboxylate

C₈H₈Cl₂N₂O₂CAS 69312-43-2235.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₈Cl₂N₂O₂
Molar mass: 235.06 g/mol
Exact mass: 233.9963 Da
logP: 2.35Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

69312-43-2

SMILES

CC(C)OC(=O)C1=CN=C(N=C1Cl)Cl

InChIKey

YRJUHXRUVTWBKE-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2N2O2/c1-4(2)14-7(13)5-3-11-8(10)12-6(5)9/h3-4H,1-2H3

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Names and synonyms

1 names

Isopropyl 2,4-dichloropyrimidine-5-carboxylate

Work with Isopropanyl 2,4-dichloropyrimidine-5-carboxylate

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

Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-666 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-861 % similar 2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-351 % similar Diisopropyl phthalate605-45-847 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-345 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-043 % similar Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-042 % similar Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-27-642 % similar

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

Same formula

2,4-Dichlorophenoxyacetic acid hydrazide28236-62-6

Elsewhere

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