L1O
Summary
| Name: | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid |
| Formula: | C9 H9 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 250.079 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-aminoethoxy)-3,5-dichloro-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(cc(Cl)c1OCCN)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCOc1c(Cl)cc(cc1Cl)C(O)=O |
| SMILES | CACTVS | 3.341 | NCCOc1c(Cl)cc(cc1Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9Cl2NO3/c10-6-3-5(9(13)14)4-7(11)8(6)15-2-1-12/h3-4H,1-2,12H2,(H,13,14) |
| InChIKey | InChI | 1.03 | BCUWXCINVFOVDJ-UHFFFAOYSA-N |
