chempirical

2,4-Dichloro-5-nitropyrimidine

C4HCl2N3O2CAS 49845-33-2193.97 g/mol

Open in Covalent MOL file
NNClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C4HCl2N3O2
Molar mass
193.97 g/mol
Exact mass
192.9446 Da
logP
1.69Crippen 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
49845-33-2
SMILES
C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChIKey
INUSQTPGSHFGHM-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H

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Work with 2,4-Dichloro-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

2,4,6-Trichloro-5-nitropyrimidine4359-87-956 % similar 2,6-Dichloro-3-nitropyridine16013-85-754 % similar 2-Chloro-5-nitropyrimidine10320-42-053 % similar 2,5-Dichloro-3-nitropyridine21427-62-353 % similar 2-Chloro-3,5-dinitropyridine2578-45-253 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-651 % similar 2-Chloro-6-methyl-3-nitropyridine56057-19-351 % similar 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-651 % similar

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

Same formula

4,6-Dichloro-5-nitropyrimidine4316-93-2

Elsewhere

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