A18
Summary
| Name: | 5-(2-CHLOROBENZYL)-2-FUROIC ACID |
| Formula: | C12 H9 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 236.651 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(2-chlorobenzyl)furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[(2-chlorophenyl)methyl]furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccccc1Cc2oc(cc2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1oc(Cc2ccccc2Cl)cc1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1oc(Cc2ccccc2Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15) |
| InChIKey | InChI | 1.03 | YRUPEIZURHOLHV-UHFFFAOYSA-N |
