4,7-Dibromo-5,6-dinitrobenzo[C][1,2,5]thiadiazole

C₆Br₂N₄O₄SCAS 76186-72-6383.96 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆Br₂N₄O₄S
Molar mass: 383.96 g/mol
Exact mass: 381.8007 Da
logP: 3.03Crippen estimate
Polar surface area: 112.1 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 2

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

76186-72-6

SMILES

C1(=C(C2=NSN=C2C(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-]

InChIKey

XEVOZPRNEPMHAF-UHFFFAOYSA-N

InChI

InChI=1S/C6Br2N4O4S/c7-1-3-4(10-17-9-3)2(8)6(12(15)16)5(1)11(13)14

Weigh it out

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Names and synonyms

1 names

4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

Work with 4,7-Dibromo-5,6-dinitrobenzo[C][1,2,5]thiadiazole

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

1-Bromo-2,3,4,5-tetrafluoro-6-nitrobenzene5580-83-645 % similar 2,5-Dibromo-3,4-dinitrothiophene52431-30-845 % similar 4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole1295502-53-243 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-842 % similar 2-Bromo-4-nitro-1,3,5-trimethylbenzene90561-85-638 % similar 4,7-Dibromobenzo[1,2-C:4,5-C']bis([1,2,5]thiadiazole)165617-59-438 % similar 3-Bromo-2-nitroaniline7138-15-037 % similar 2,5-Dichloro-3,4-dinitrothiophene51584-21-536 % similar

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

Elsewhere

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