2JM
Summary
| Name: | 2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
| Formula: | C10 H5 Br4 N O |
| Formal charge: | 0 |
| Formula weight: | 474.769 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
| OpenEye OEToolkits | 1.7.6 | 2-bromanyl-6-[3,4,5-tris(bromanyl)-1H-pyrrol-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2c(c1cccc(Br)c1O)nc(Br)c2Br |
| InChI | InChI | 1.03 | InChI=1S/C10H5Br4NO/c11-5-3-1-2-4(9(5)16)8-6(12)7(13)10(14)15-8/h1-3,15-16H |
| InChIKey | InChI | 1.03 | ICQYFNOAENEHOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Br)cccc1c2[nH]c(Br)c(Br)c2Br |
| SMILES | CACTVS | 3.385 | Oc1c(Br)cccc1c2[nH]c(Br)c(Br)c2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br |
