ZBR
Summary
Name: | 1,3,5-tris(bromomethyl)benzene |
Formula: | C9 H9 Br3 |
Formal charge: | 0 |
Formula weight: | 356.88 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,3,5-tris(bromomethyl)benzene |
OpenEye OEToolkits | 1.7.2 | 1,3,5-tris(bromomethyl)benzene |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | BrCc1cc(cc(c1)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 |
SMILES_CANONICAL | CACTVS | 3.370 | BrCc1cc(CBr)cc(CBr)c1 |
SMILES | CACTVS | 3.370 | BrCc1cc(CBr)cc(CBr)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1c(cc(cc1CBr)CBr)CBr |
SMILES | OpenEye OEToolkits | 1.7.2 | c1c(cc(cc1CBr)CBr)CBr |