QNA
Summary
| Name: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
| Formula: | C10 H9 B F O5 |
| Formal charge: | -1 |
| Formula weight: | 238.985 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-9-fluoranyl-5,5-bis(oxidanyl)-6-oxa-5-boranuidatricyclo[5.4.0.0^{2,4}]undeca-1(11),7,9-triene-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | RYSXSDTTWIWNFW-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(F)ccc2[C@H]3C[C@H]3[B-](O)(O)Oc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O)Oc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(C2CC2c3ccc(c(c3O1)C(=O)O)F)(O)O |
