chempirical

2,4,5-Trichloropyrimidine

C4HCl3N2CAS 5750-76-5183.42 g/mol

Open in Covalent MOL file
NNClClCl
Aryl halide

Properties

Molecular formula
C4HCl3N2
Molar mass
183.42 g/mol
Exact mass
181.9205 Da
logP
2.44Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
5750-76-5
SMILES
C1=C(C(=NC(=N1)Cl)Cl)Cl
InChIKey
GIKMWFAAEIACRF-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H

Weigh it out

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Work with 2,4,5-Trichloropyrimidine

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

2,4-Dichloro-5-fluoropyrimidine2927-71-160 % similar 4,5-Dichloropyrimidin-2-amine403854-21-758 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-054 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-054 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-554 % similar 2,4-Dichloro-5-aminopyrimidine5177-27-554 % similar 2,5-Dichloropyrimidin-4-amine89180-51-854 % similar 2,4-Dichloro-5-methoxypyrimidine19646-07-248 % similar

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

Same formula

3,4,5-Trichloropyridazine14161-11-6 4,5,6-Trichloropyrimidine1780-27-4 2,4,6-Trichloropyrimidine3764-01-0 3,4,6-Trichloropyridazine6082-66-2

Elsewhere

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