4ZC
5-chloro-2-hydroxybenzonitrile
| Created: | 2015-07-01 |
| Last modified: | 2016-08-10 |
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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 | 5-chloro-2-hydroxybenzonitrile |
| Systematic Name (OpenEye OEToolkits) | 5-chloranyl-2-oxidanyl-benzenecarbonitrile |
| Formula | C7 H4 Cl N O |
| Molecular Weight | 153.566 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(cc(cc1)Cl)C#N |
| SMILES | CACTVS | 3.385 | Oc1ccc(Cl)cc1C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)C#N)O |
| Canonical SMILES | CACTVS | 3.385 | Oc1ccc(Cl)cc1C#N |
| Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)C#N)O |
| InChI | InChI | 1.03 | InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H |
| InChIKey | InChI | 1.03 | XWQDMIXVAYAZGB-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 2777420 |
| CCDC/CSD | VEWXAZ |
