9FE
Summary
| Name: | 3-bromanyl-1~{H}-indazole-5-carboxylic acid |
| Formula: | C8 H5 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.041 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-bromanyl-1~{H}-indazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | RWQMEUDBXGKAER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2[nH]nc(Br)c2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2[nH]nc(Br)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)O)c(n[nH]2)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)O)c(n[nH]2)Br |
