ZBR

1,3,5-tris(bromomethyl)benzene

Created:2011-02-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of ZBR

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Chemical Component Summary

Name1,3,5-tris(bromomethyl)benzene
Systematic Name (OpenEye OEToolkits)1,3,5-tris(bromomethyl)benzene
FormulaC9 H9 Br3
Molecular Weight356.88
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01BrCc1cc(cc(c1)CBr)CBr
SMILESCACTVS3.370BrCc1cc(CBr)cc(CBr)c1
SMILESOpenEye OEToolkits1.7.2c1c(cc(cc1CBr)CBr)CBr
Canonical SMILESCACTVS3.370 BrCc1cc(CBr)cc(CBr)c1
Canonical SMILESOpenEye OEToolkits1.7.2 c1c(cc(cc1CBr)CBr)CBr
InChIInChI1.03 InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKeyInChI1.03 GHITVUOBZBZMND-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 530258
CCDC/CSD ISAYOR
COD 2018118