IA2
Summary
| Name: | 2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL |
| Formula: | C10 H4 Cl5 N O |
| Formal charge: | 0 |
| Formula weight: | 331.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol |
| OpenEye OEToolkits | 1.6.1 | 2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2c(c1cc(Cl)cc(Cl)c1O)nc(Cl)c2Cl |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1c(Cl)cc(Cl)cc1c2[nH]c(Cl)c(Cl)c2Cl |
| SMILES | CACTVS | 3.352 | Oc1c(Cl)cc(Cl)cc1c2[nH]c(Cl)c(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H |
| InChIKey | InChI | 1.03 | FBRLLYYPGGXCKT-UHFFFAOYSA-N |
