(4,6-Dichloropyrimidin-5-yl)acetaldehyde

C₆H₄Cl₂N₂OCAS 16019-33-3191.01 g/mol

Open in Covalent MOL file

Aldehyde Halogen

Properties

Molecular formula: C₆H₄Cl₂N₂O
Molar mass: 191.01 g/mol
Exact mass: 189.9701 Da
Melting point: 89–91 °C
logP: 1.52Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

16019-33-3

SMILES

O=CCc1c(Cl)ncnc1Cl

InChIKey

QEBITPOSBYZLCY-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2

Weigh it out

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

Names and synonyms

3 names

5-Pyrimidineacetaldehyde, 4,6-dichloro-
4,6-Dichloro-5-pyrimidineacetaldehyde
2-(4,6-Dichloro-5-pyrimidinyl)acetaldehyde

Work with (4,6-Dichloropyrimidin-5-yl)acetaldehyde

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

Elsewhere

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