01X
Summary
| Name: | [2-(aminomethyl)-4-chlorophenoxy]acetic acid |
| Formula: | C9 H10 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 215.634 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(aminomethyl)-4-chlorophenoxy]acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[2-(aminomethyl)-4-chloro-phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(OCC(=O)O)cc1)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1cc(Cl)ccc1OCC(O)=O |
| SMILES | CACTVS | 3.370 | NCc1cc(Cl)ccc1OCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO3/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3H,4-5,11H2,(H,12,13) |
| InChIKey | InChI | 1.03 | SXKBUHHKKNFJLT-UHFFFAOYSA-N |
