4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole

C₆HBr₂FN₂SCAS 1347736-74-6311.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆HBr₂FN₂S
Molar mass: 311.95 g/mol
Exact mass: 309.8211 Da
logP: 3.36Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
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

1347736-74-6

SMILES

C1=C(C2=NSN=C2C(=C1F)Br)Br

InChIKey

KVZDYOVYIHJETJ-UHFFFAOYSA-N

InChI

InChI=1S/C6HBr2FN2S/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H

Weigh it out

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Names and synonyms

1 names

4,7-Dibromo-5-fluorobenzo[C][1,2,5]thiadiazole

Work with 4,7-Dibromo-5-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

4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole1295502-53-252 % similar 4,7-Dibromo-2,1,3-benzothiadiazole15155-41-648 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-543 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-943 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-942 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-342 % similar 1,2,5-Tribromo-3-fluorobenzene2839-37-442 % similar 4-Bromo-3,5-difluoroaniline203302-95-841 % similar

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

Elsewhere

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