UWR
Summary
| Name: | (2R)-amino(3-chlorophenyl)acetonitrile |
| Formula: | C8 H7 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 166.608 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-amino(3-chlorophenyl)acetonitrile |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-2-(3-chlorophenyl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C#N)c1cc(Cl)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | MHUPYXJSGAMNFY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C#N)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | N[CH](C#N)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)[C@H](C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)C(C#N)N |
