IJ5
Summary
| Name: | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile |
| Synonyms: | (R)-2-chloromandelonitrile |
| Formula: | C8 H6 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 167.592 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | ZECLJEYAWRQVIB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C#N)c1ccccc1Cl |
| SMILES | CACTVS | 3.385 | O[CH](C#N)c1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@H](C#N)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(C#N)O)Cl |
