503559-81-7
3-PYRIDINECARBOXALDEHYDE, 5-(1-BUTEN-1-YL)-4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-
Name3-PYRIDINECARBOXALDEHYDE, 5-(1-BUTEN-1-YL)-4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-
1Identification
【Name】
3-PYRIDINECARBOXALDEHYDE, 5-(1-BUTEN-1-YL)-4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-
【CAS】
【MDL】
MFCD11616224
【English Synonyms】
【Formula】
C29 H32 F N O2
【MolWeight】
445.575
【Inchi】
InChI=1S/C29H32FNO2/c1-6-7-13-24-27(25(17-32)29(20(4)5)31-28(24)19(2)3)23-15-14-22(30)16-26(23)33-18-21-11-9-8-10-12-21/h7-17,19-20H,6,18H2,1-5H3/b13-7+
【InChIKey】
InChIKey=KSBATTIYZHYYFR-NTUHNPAUSA-N
【SMILES】
CC/C=C/c1c(c(c(nc1C(C)C)C(C)C)C=O)c2ccc(cc2OCc3ccccc3)F
【MOL File】
3-PYRIDINECARBOXALDE….mol
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, 5-(1-BUTEN-1-YL)-4-[4-FLUORO-2-(PHENYLMETHOXY)PHENYL]-2,6-BIS(1-METHYLETHYL)-.cml