71G
Summary
| Name: | 3-aminobenzonitrile |
| Formula: | C7 H6 N2 |
| Formal charge: | 0 |
| Formula weight: | 118.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-aminobenzonitrile |
| OpenEye OEToolkits | 2.0.5 | 3-azanylbenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(N)ccc1)C#N |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2 |
| InChIKey | InChI | 1.03 | NJXPYZHXZZCTNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)C#N |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(cc(c1)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(cc(c1)N)C#N |
