4ZC
Summary
| Name: | 5-chloro-2-hydroxybenzonitrile |
| Formula: | C7 H4 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 153.566 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-2-hydroxybenzonitrile |
| OpenEye OEToolkits | 1.9.2 | 5-chloranyl-2-oxidanyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(cc(cc1)Cl)C#N |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cl)cc1C#N |
| SMILES | CACTVS | 3.385 | Oc1ccc(Cl)cc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)C#N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)C#N)O |
