15Q
Summary
| Name: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol |
| Formula: | C13 H9 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 281.667 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol |
| OpenEye OEToolkits | 1.7.6 | 3-chloranyl-4-(3-fluoranyl-4-oxidanyl-phenyl)-2-[(E)-hydroxyiminomethyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2c(c(O)ccc2c1cc(F)c(O)cc1)\C=N\O |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-6,17-19H/b16-6+ |
| InChIKey | InChI | 1.03 | CWBFECUIDZXHBY-OMCISZLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O\N=C\c1c(O)ccc(c2ccc(O)c(F)c2)c1Cl |
| SMILES | CACTVS | 3.370 | ON=Cc1c(O)ccc(c2ccc(O)c(F)c2)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1c2ccc(c(c2Cl)C=NO)O)F)O |
