H70
Summary
| Name: | 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL |
| Synonyms: | TRIBROMODICHLOROPSEUDILIN |
| Formula: | C10 H4 Br3 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 464.763 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
| OpenEye OEToolkits | 1.6.1 | 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br |
| SMILES | CACTVS | 3.352 | Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H |
| InChIKey | InChI | 1.03 | KMUJMUQZYHMNDR-UHFFFAOYSA-N |
