A1EB5
Summary
| Name: | 1-propan-2-ylbenzotriazole-5-carboxylic acid |
| Formula: | C10 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-propan-2-ylbenzotriazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.06 | RUTVRAJKELSHCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1nnc2cc(ccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)n1nnc2cc(ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2ccc(cc2nn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2ccc(cc2nn1)C(=O)O |
