chempirical

5-Chloro-6-fluoro-2,1,3-benzothiadiazole

C6H2ClFN2SCAS 175204-22-5188.60 g/mol

Open in Covalent MOL file
NSNClF
Aryl halide

Properties

Molecular formula
C6H2ClFN2S
Molar mass
188.60 g/mol
Exact mass
187.9611 Da
logP
2.48Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
175204-22-5
SMILES
C1=C(C(=CC2=NSN=C21)Cl)F
InChIKey
MXKOABONVNDVKG-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H

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Names and synonyms

1 names
  • 5-Chloro-6-fluorobenzo-2,1,3-thiadiazole

Work with 5-Chloro-6-fluoro-2,1,3-benzothiadiazole

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

5,6-Difluoro-2,1,3-benzothiadiazole1293389-28-267 % similar 6-Chloro-5-fluoro-1H-benzimidazole175135-04-352 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-243 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-942 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-142 % similar 2,4-Dichloro-5-fluoroaniline348-64-142 % similar 1-Chloro-2,4-difluorobenzene1435-44-539 % similar 2,4-Dichlorofluorobenzene1435-48-939 % similar

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

Elsewhere

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