A1E1M
Summary
| Name: | 7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid |
| Formula: | C9 H5 Br Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 274.499 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H5BrClNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14) |
| InChIKey | InChI | 1.06 | GYDTYDQJHCQVAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2c(Br)cc(Cl)cc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2c(Br)cc(Cl)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2cc([nH]c2c(cc1Cl)Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc([nH]c2c(cc1Cl)Br)C(=O)O |
