chempirical

2-(Chloromethyl)-4-(4-nitrophenyl)thiazole

C10H7ClN2O2SCAS 89250-26-0254.69 g/mol

Open in Covalent MOL file
ON+O−SClN
Alkyl halideNitro

Properties

Molecular formula
C10H7ClN2O2S
Molar mass
254.69 g/mol
Exact mass
253.9917 Da
logP
3.46Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
89250-26-0
SMILES
O=[N+]([O-])c1ccc(-c2csc(CCl)n2)cc1
InChIKey
LEBRGKZHLICZCZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClN2O2S/c11-5-10-12-9(6-16-10)7-1-3-8(4-2-7)13(14)15/h1-4,6H,5H2

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Names and synonyms

3 names
  • Thiazole, 2-(chloromethyl)-4-(4-nitrophenyl)-
  • Thiazole, 2-(chloromethyl)-4-(p-nitrophenyl)-
  • 2-(Chloromethyl)-4-(4-nitrophenyl)-1,3-thiazole

Work with 2-(Chloromethyl)-4-(4-nitrophenyl)thiazole

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

4-Nitrobenzyl chloride100-14-150 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-146 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-943 % similar 1,4-Dinitrobenzene100-25-442 % similar 4-Nitro-1,1′-biphenyl92-93-341 % similar 2,4-Dinitrobenzyl chloride610-57-141 % similar 2-Amino-4-(P-nitrophenyl)thiazole2104-09-841 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-740 % similar

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

Elsewhere

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