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

C6Br2N4O4SCAS 76186-72-6383.96 g/mol

Open in Covalent MOL file
NSNN+OO−BrBrN+OO−
Aryl halideNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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Type any one amount. The others follow from the molar mass.

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

2-Bromo-3,4,5,6-tetrafluoronitrobenzene5580-83-645 % 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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