9R5
Summary
| Name: | [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine |
| Formula: | C9 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.634 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO2/c10-6-1-2-8-9(3-6)12-5-7(4-11)13-8/h1-3,7H,4-5,11H2/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | OGSHRCYGTQQEAO-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H]1COc2cc(Cl)ccc2O1 |
| SMILES | CACTVS | 3.385 | NC[CH]1COc2cc(Cl)ccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)OC[C@H](O2)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)OCC(O2)CN |
