R2N
Summary
| Name: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid |
| Formula: | C10 H8 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 254.08 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-bromanyl-1-methyl-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8BrNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | GCGFIFNQFLLJIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(cc2cc(Br)ccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1c(cc2cc(Br)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1c2ccc(cc2cc1C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1c2ccc(cc2cc1C(=O)O)Br |
