A1CPV
Summary
| Name: | methyl 6-bromo-1H-indole-2-carboxylate |
| Formula: | C10 H8 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 254.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl 6-bromo-1H-indole-2-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 6-bromanyl-1~{H}-indole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OC)c1cc2ccc(Br)cc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8BrNO2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-5,12H,1H3 |
| InChIKey | InChI | 1.06 | BUMYRKNZGPXFEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1[nH]c2cc(Br)ccc2c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1[nH]c2cc(Br)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1cc2ccc(cc2[nH]1)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1cc2ccc(cc2[nH]1)Br |
