IJ5
(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile
| Created: | 2022-07-04 |
| Last modified: | 2024-01-24 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 1 |
| Bond Count | 17 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile |
| Synonyms | (R)-2-chloromandelonitrile |
| Systematic Name (OpenEye OEToolkits) | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile |
| Formula | C8 H6 Cl N O |
| Molecular Weight | 167.592 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | O[CH](C#N)c1ccccc1Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(C#N)O)Cl |
| Canonical SMILES | CACTVS | 3.385 | O[C@@H](C#N)c1ccccc1Cl |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@H](C#N)O)Cl |
| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11367217 |
