JDN
Summary
| Name: | 1~{H}-indol-5-ylboronic acid |
| Formula: | C8 H8 B N O2 |
| Formal charge: | 0 |
| Formula weight: | 160.966 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-indol-5-ylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H |
| InChIKey | InChI | 1.03 | VHADYSUJZAPXOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | OB(O)c1ccc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc2c(c1)cc[nH]2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc2c(c1)cc[nH]2)(O)O |
