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 |
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PubChem | 26173 |
ChEBI | CHEBI:15788 |
CCDC/CSD | QOLNAI |