FQ7
Summary
| Name: | 2-[(3,5-dichlorophenyl)amino]benzoic acid |
| Formula: | C13 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 282.122 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3,5-dichlorophenyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[[3,5-bis(chloranyl)phenyl]amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18) |
| InChIKey | InChI | 1.03 | FNGSQOJHNAYHAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cc(Cl)cc(Cl)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cc(Cl)cc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl |
