503559-80-6
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
Name
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
Formula
C28 H30 F N O2
MolWeight
431.548
1Identification
【Name】
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-
【CAS】
【MDL】
MFCD11616225
【English Synonyms】
【Formula】
C28 H30 F N O2
【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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINECARBOXALDEHYDE, 4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-5-(1-PROPEN-1-YL)-.cml
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