A1AX9
Summary
| Name: | (3M)-3-(1H-pyrazol-1-yl)benzonitrile |
| Formula: | C10 H7 N3 |
| Formal charge: | 0 |
| Formula weight: | 169.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-3-(1H-pyrazol-1-yl)benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 3-pyrazol-1-ylbenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)n1cccn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H7N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H |
| InChIKey | InChI | 1.06 | KLZKYUMVLIQOFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cccc(c1)n2cccn2 |
| SMILES | CACTVS | 3.385 | N#Cc1cccc(c1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2cccn2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)n2cccn2)C#N |
