WOM
Picloram
| Created: | 2020-11-01 |
| Last modified: | 2021-12-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | Picloram |
| Synonyms | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid |
| Systematic Name (OpenEye OEToolkits) | 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid |
| Formula | C6 H3 Cl3 N2 O2 |
| Molecular Weight | 241.459 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl |
| SMILES | CACTVS | 3.385 | Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N |
| Canonical SMILES | CACTVS | 3.385 | Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | NQQVFXUMIDALNH-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 15965 |
| ChEMBL | CHEMBL461349 |
| ChEBI | CHEBI:34922 |
