35C
3,5-dichlorobenzene-1,2-diol
| Created: | 2009-07-09 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 14 |
| Chiral Atom Count | 0 |
| Bond Count | 14 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3,5-dichlorobenzene-1,2-diol |
| Systematic Name (OpenEye OEToolkits) | 3,5-dichlorobenzene-1,2-diol |
| Formula | C6 H4 Cl2 O2 |
| Molecular Weight | 179.001 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1cc(Cl)cc(O)c1O |
| SMILES | CACTVS | 3.352 | Oc1cc(Cl)cc(Cl)c1O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(c(c1O)O)Cl)Cl |
| Canonical SMILES | CACTVS | 3.352 | Oc1cc(Cl)cc(Cl)c1O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(c(c1O)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H |
| InChIKey | InChI | 1.03 | XSXYVLIPQMXCBV-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 26173 |
| ChEBI | CHEBI:15788 |
| CCDC/CSD | QOLNAI |














