KF6
Summary
| Name: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole |
| Formula: | C13 H10 Br Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 309.589 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H10BrClN2/c14-11-5-10-8(4-9-2-1-3-16-9)7-17-13(10)6-12(11)15/h1-3,5-7,16-17H,4H2 |
| InChIKey | InChI | 1.06 | NESKXGVJCCDGGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]cc(Cc3[nH]ccc3)c2cc1Br |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]cc(Cc3[nH]ccc3)c2cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)Cc2c[nH]c3c2cc(c(c3)Cl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)Cc2c[nH]c3c2cc(c(c3)Cl)Br |
