FE3
Summary
| Name: | 4-(2-aminoethyl)-3-chlorobenzoic acid |
| Formula: | C9 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.634 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2-aminoethyl)-3-chlorobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-aminoethyl)-3-chloro-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1CCN)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCc1ccc(cc1Cl)C(O)=O |
| SMILES | CACTVS | 3.341 | NCCc1ccc(cc1Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)Cl)CCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)Cl)CCN |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO2/c10-8-5-7(9(12)13)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2,(H,12,13) |
| InChIKey | InChI | 1.03 | YJVHGANWEFKXDQ-UHFFFAOYSA-N |
