CJZ
Summary
| Name: | 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid |
| Formula: | C13 H9 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 298.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[(3,5-dichloro-4-hydroxy-phenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1O)Nc2ccccc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H9Cl2NO3/c14-9-5-7(6-10(15)12(9)17)16-11-4-2-1-3-8(11)13(18)19/h1-6,16-17H,(H,18,19) |
| InChIKey | InChI | 1.03 | AKTRZQGZDAYEOG-UHFFFAOYSA-N |
