503559-80-6
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
Name3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
pro_formulaC28 H30 F N O2
1Identification
【Name】
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
【CAS】
【MDL】
MFCD11616225
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H30 F N O2
【pro_molWeight】
431.548
【Inchi】
InChI=1S/C28H30FNO2/c1-6-10-23-26(24(16-31)28(19(4)5)30-27(23)18(2)3)22-14-13-21(29)15-25(22)32-17-20-11-8-7-9-12-20/h6-16,18-19H,17H2,1-5H3/b10-6+
【InChIKey】
InChIKey=KOOZCEDDEOUKIE-UXBLZVDNSA-N
【SMILES】
C/C=C/c1c(c(c(nc1C(C)C)C(C)C)C=O)c2ccc(cc2OCc3ccccc3)F
【MOL File】
3-PYRIDINECARBOXALDE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:8.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-.cml