TN2
Summary
| Name: | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL |
| Formula: | C12 H7 Cl2 N O4 |
| Formal charge: | 0 |
| Formula weight: | 300.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol |
| OpenEye OEToolkits | 1.5.0 | 5-chloro-2-(2-chloro-4-nitro-phenoxy)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(ccc2Oc1ccc(Cl)cc1O)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(Cl)ccc1Oc2ccc(cc2Cl)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1cc(Cl)ccc1Oc2ccc(cc2Cl)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H |
| InChIKey | InChI | 1.03 | DEDBMNCDHFNYKX-UHFFFAOYSA-N |
