A1EN7
Summary
| Name: | 2-[[(3~{R})-6-(2-fluoranylethoxy)-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]prop-2-enoic acid |
| Formula: | C13 H14 B F O5 |
| Formal charge: | 0 |
| Formula weight: | 280.057 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(3~{R})-6-(2-fluoranylethoxy)-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14BFO5/c1-8(13(16)17)6-12-10-3-2-9(19-5-4-15)7-11(10)14(18)20-12/h2-3,7,12,18H,1,4-6H2,(H,16,17)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | OJTNGWMSGVANIF-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@H](CC(=C)C(O)=O)c2ccc(OCCF)cc12 |
| SMILES | CACTVS | 3.385 | OB1O[CH](CC(=C)C(O)=O)c2ccc(OCCF)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)OCCF)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2C(O1)CC(=C)C(=O)O)OCCF)O |
