VBR
Summary
| Name: | 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid |
| Formula: | C10 H8 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.629 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8ClNO2/c1-5-2-6-3-7(10(13)14)8(11)4-9(6)12-5/h2-4,12H,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | ZOKNNTHGXKIWSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2cc(Cl)c(cc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2cc(Cl)c(cc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(c(cc2[nH]1)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(c(cc2[nH]1)Cl)C(=O)O |
