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

C6Br2F2N2SCAS 1295502-53-2329.94 g/mol

Open in Covalent MOL file
NSNFBrBrF
Aryl halide

Properties

Molecular formula
C6Br2F2N2S
Molar mass
329.94 g/mol
Exact mass
327.8117 Da
logP
3.49Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1295502-53-2
SMILES
C1(=C(C2=NSN=C2C(=C1F)Br)Br)F
InChIKey
HFUBKQHDPJZQIW-UHFFFAOYSA-N
InChI
InChI=1S/C6Br2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6

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Names and synonyms

1 names
  • 4,7-Dibromo-5,6-difluorobenzo[C][1,2,5]thiadiazole

Work with 4,7-Dibromo-5,6-difluoro-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-fluoro-2,1,3-benzothiadiazole1347736-74-652 % similar 4,7-Dibromobenzo[1,2-C:4,5-C']bis([1,2,5]thiadiazole)165617-59-448 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-647 % similar Bromopentafluorobenzene344-04-745 % similar 1,2-Dibromotetrafluorobenzene827-08-745 % similar 4,7-Dibromo-5,6-dinitrobenzo[C][1,2,5]thiadiazole76186-72-643 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-143 % similar 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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