CH8
5-CHLORO-2-PHENOXYPHENOL
| Created: | 2012-03-04 |
| Last modified: | 2014-05-14 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 25 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | 5-CHLORO-2-PHENOXYPHENOL |
| Systematic Name (OpenEye OEToolkits) | 5-chloranyl-2-phenoxy-phenol |
| Formula | C12 H9 Cl O2 |
| Molecular Weight | 220.652 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cc(O)c(Oc1ccccc1)cc2 |
| SMILES | CACTVS | 3.370 | Oc1cc(Cl)ccc1Oc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2O)Cl |
| Canonical SMILES | CACTVS | 3.370 | Oc1cc(Cl)ccc1Oc2ccccc2 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H |
| InChIKey | InChI | 1.03 | ZVTLRRZWZYDDLD-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5271320 |
| ChEMBL | CHEMBL149299 |














