7NM
Summary
| Name: | [3-(benzyloxy)-4-methylphenyl]borinic acid |
| Formula: | C14 H15 B O2 |
| Formal charge: | 0 |
| Formula weight: | 226.079 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [3-(benzyloxy)-4-methylphenyl]borinic acid |
| OpenEye OEToolkits | 2.0.6 | (4-methyl-3-phenylmethoxy-phenyl)borinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc2c(OCc1ccccc1)cc(cc2)BO |
| InChI | InChI | 1.03 | InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3 |
| InChIKey | InChI | 1.03 | AGVGVUFVBCPZKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(BO)cc1OCc2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(BO)cc1OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)OCc2ccccc2)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)OCc2ccccc2)C)O |
