A1H4J
Summary
| Name: | 3-(4-chlorophenyl)-1H-pyrazole |
| Formula: | C9 H7 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 178.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-chlorophenyl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12) |
| InChIKey | InChI | 1.06 | HLCXWJKNVWWWOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)c2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc[nH]n2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc[nH]n2)Cl |
