SBK
Triclopyr
| Created: | 2016-05-26 |
| Last modified: | 2016-10-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 18 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | Triclopyr |
| Systematic Name (OpenEye OEToolkits) | 2-[3,5,6-tris(chloranyl)pyridin-2-yl]oxyethanoic acid |
| Formula | C7 H4 Cl3 N O3 |
| Molecular Weight | 256.471 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | OC(=O)COc1nc(Cl)c(Cl)cc1Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl |
| Canonical SMILES | CACTVS | 3.385 | OC(=O)COc1nc(Cl)c(Cl)cc1Cl |
| Canonical SMILES | OpenEye OEToolkits | 2.0.5 | c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13) |
| InChIKey | InChI | 1.03 | REEQLXCGVXDJSQ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 41428 |
| ChEMBL | CHEMBL1865925 |
| ChEBI | CHEBI:9682 |
| CCDC/CSD | WOHZEA |
| COD | 2239836 |
