chempirical

2,4,6-Trichloro-5-nitropyrimidine

C4Cl3N3O2CAS 4359-87-9228.41 g/mol

Open in Covalent MOL file
NNClClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C4Cl3N3O2
Molar mass
228.41 g/mol
Exact mass
226.9056 Da
logP
2.35Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
4359-87-9
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)[N+](=O)[O-]
InChIKey
QGFWFWSBFMRDNP-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl3N3O2/c5-2-1(10(11)12)3(6)9-4(7)8-2

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Work with 2,4,6-Trichloro-5-nitropyrimidine

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-6-methyl-5-nitropyrimidine13162-26-073 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-264 % similar 2,4-Dichloro-5-nitropyrimidine49845-33-256 % similar 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-054 % similar 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-954 % similar 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-154 % similar 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine145783-14-851 % similar 2,4-Dichloro-3-nitropyridine5975-12-250 % similar

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

Elsewhere

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