GVC
Summary
| Name: | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID |
| Formula: | C10 H7 Cl2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.087 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 1-(3,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(Cl)cc(n1nc(nc1C)C(=O)O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1nc(nn1c2cc(Cl)cc(Cl)c2)C(O)=O |
| SMILES | CACTVS | 3.341 | Cc1nc(nn1c2cc(Cl)cc(Cl)c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | CZTNDZALWLHXBA-UHFFFAOYSA-N |
