ZBR
1,3,5-tris(bromomethyl)benzene
Created: | 2011-02-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 21 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1,3,5-tris(bromomethyl)benzene |
Systematic Name (OpenEye OEToolkits) | 1,3,5-tris(bromomethyl)benzene |
Formula | C9 H9 Br3 |
Molecular Weight | 356.88 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | BrCc1cc(cc(c1)CBr)CBr |
SMILES | CACTVS | 3.370 | BrCc1cc(CBr)cc(CBr)c1 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1c(cc(cc1CBr)CBr)CBr |
Canonical SMILES | CACTVS | 3.370 | BrCc1cc(CBr)cc(CBr)c1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | c1c(cc(cc1CBr)CBr)CBr |
InChI | InChI | 1.03 | InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2 |
InChIKey | InChI | 1.03 | GHITVUOBZBZMND-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 530258 |
CCDC/CSD | ISAYOR |
COD | 2018118 |