chempirical

2,3,6,7,10,11-Hexabromotriphenylene

C18H6Br6CAS 82632-80-2701.67 g/mol

Open in Covalent MOL file
BrBrBrBrBrBr
Aryl halide

Properties

Molecular formula
C18H6Br6
Molar mass
701.67 g/mol
Exact mass
695.5570 Da
logP
9.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
82632-80-2
SMILES
C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br
InChIKey
GLHQUXLCQLQNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H

Weigh it out

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

Work with 2,3,6,7,10,11-Hexabromotriphenylene

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

1,2,4,5-Tetrabromobenzene636-28-267 % similar 6,12-Dibromochrysene131222-99-656 % similar 4,5-Dibromo-O-xylene24932-48-747 % similar 4,5-Dibromo-1,2-phenylenediamine49764-63-847 % similar 2,3,6,7,12,13-Hexabromotriptycene55805-81-747 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-947 % similar 1,3,6,8-Tetrabromopyrene128-63-244 % similar 2,3-Dibromonaphthalene13214-70-544 % similar

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

Elsewhere

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