FTV
Summary
| Name: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid |
| Formula: | C9 H8 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 235.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(2,4-dichlorophenoxy)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[2,4-bis(chloranyl)phenoxy]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(ccc(c1)Cl)OC(C)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | MZHCENGPTKEIGP-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)Oc1ccc(cc1Cl)Cl |
