205
Summary
| Name: | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID |
| Formula: | C14 H7 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 308.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3cccc(Cl)c3c1nc2ccc(cc2o1)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc2nc(oc2c1)c3c(Cl)cccc3Cl |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc2nc(oc2c1)c3c(Cl)cccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19) |
| InChIKey | InChI | 1.03 | XVNRKPCHMYOPPL-UHFFFAOYSA-N |
