JW3
Summary
| Name: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid |
| Formula: | C12 H12 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.039 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid |
| OpenEye OEToolkits | 2.0.6 | [3-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(B(O)O)ccc1)NCc2occc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15) |
| InChIKey | InChI | 1.03 | BYRIHRGFMYXTLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccc(c1)C(=O)NCc2occc2 |
| SMILES | CACTVS | 3.385 | OB(O)c1cccc(c1)C(=O)NCc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)C(=O)NCc2ccco2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)C(=O)NCc2ccco2)(O)O |
