8NZ
Summary
| Name: | 5-bromanyl-1~{H}-indole-3-carboxylic acid |
| Formula: | C9 H6 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 240.053 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-1~{H}-indole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13) |
| InChIKey | InChI | 1.03 | JVZMBSGNSAHFCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c[nH]c2ccc(Br)cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c[nH]c2ccc(Br)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Br)c(c[nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Br)c(c[nH]2)C(=O)O |
