PZ8
Summary
| Name: | 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid |
| Formula: | C13 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 249.693 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | SNPBYQCWMKALIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O |
