6C1
Summary
| Name: | {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid |
| Formula: | C13 H12 B Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 262.497 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid |
| OpenEye OEToolkits | 2.0.4 | [2-[(3-chlorophenyl)methoxy]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2 |
| InChIKey | InChI | 1.03 | CYKRFBRLRUNSDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccccc1OCc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | OB(O)c1ccccc1OCc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | B(c1ccccc1OCc2cccc(c2)Cl)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | B(c1ccccc1OCc2cccc(c2)Cl)(O)O |
