7N4
Summary
| Name: | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid |
| Formula: | C13 H11 B Cl F O2 |
| Formal charge: | 0 |
| Formula weight: | 264.488 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-[(2-fluorophenyl)methoxy]phenyl]borinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | B(c1cc(c(cc1)OCc2ccccc2F)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2 |
| InChIKey | InChI | 1.03 | XKCHKRXBHQBTGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OBc1ccc(OCc2ccccc2F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | OBc1ccc(OCc2ccccc2F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)OCc2ccccc2F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)OCc2ccccc2F)O |
