TLF
Summary
| Name: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid |
| Synonyms: | Tolfenamic acid |
| Formula: | C14 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 261.704 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cccc(Nc1ccccc1C(=O)O)c2C |
| InChI | InChI | 1.03 | InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | YEZNLOUZAIOMLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1c(Cl)cccc1Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1c(Cl)cccc1Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1Cl)Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1Cl)Nc2ccccc2C(=O)O |
