W3B
Summary
| Name: | methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate |
| Formula: | C10 H10 Cl F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.641 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1OC(F)F)NCC(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C10H10ClF2NO3/c1-16-9(15)5-14-6-2-3-8(7(11)4-6)17-10(12)13/h2-4,10,14H,5H2,1H3 |
| InChIKey | InChI | 1.06 | KAJAOEWVGLEYCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CNc1ccc(OC(F)F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)CNc1ccc(OC(F)F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CNc1ccc(c(c1)Cl)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CNc1ccc(c(c1)Cl)OC(F)F |
