4ET
Summary
| Name: | (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone |
| Formula: | C13 H9 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 248.662 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone |
| OpenEye OEToolkits | 1.9.2 | (5-chloranyl-2-oxidanyl-phenyl)-(4-hydroxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(cc1)O)C(c2ccc(cc2)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H |
| InChIKey | InChI | 1.03 | AXWPSTUQDSXPCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2cc(Cl)ccc2O |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2cc(Cl)ccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O |
