JTN
Summary
| Name: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid |
| Formula: | C16 H11 Cl2 F O2 |
| Formal charge: | 0 |
| Formula weight: | 325.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21) |
| InChIKey | InChI | 1.03 | DFJGLZRYGZSQOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl |
