7ND
Summary
| Name: | (3-bromo-5-phenoxyphenyl)boronic acid |
| Formula: | C12 H10 B Br O3 |
| Formal charge: | 0 |
| Formula weight: | 292.921 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-bromo-5-phenoxyphenyl)boronic acid |
| OpenEye OEToolkits | 2.0.6 | (3-bromanyl-5-phenoxy-phenyl)boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(cc(c1)B(O)O)Oc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H |
| InChIKey | InChI | 1.03 | AMTOJYMQDUXNJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cc(Br)cc(Oc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | OB(O)c1cc(Br)cc(Oc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O |
