163169-12-8
1-(4,5-DIHYDRO-4-PHENYL-2-OXAZOLYL)-2-(DIPHENYLPHOSPHINO) FERROCENE
Name1-(4,5-DIHYDRO-4-PHENYL-2-OXAZOLYL)-2-(DIPHENYLPHOSPHINO) FERROCENE
FormulaC26 H21 N O P . C5 H5 . Fe
1Identification
【Name】
1-(4,5-DIHYDRO-4-PHENYL-2-OXAZOLYL)-2-(DIPHENYLPHOSPHINO) FERROCENE
【CAS】
【MDL】
MFCD17019274
【English Synonyms】
【Formula】
C26 H21 N O P . C5 H5 . Fe
【MolWeight】
515.371
【Inchi】
InChI=1S/C26H21NOP.C5H5.Fe/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-5-3-1;/h1-18,24H,19H2;1-5H;
【InChIKey】
InChIKey=QHWSWZGJUBBRJV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2COC(=N2)[C]3[CH][CH][CH][C]3P(c4ccccc4)c5ccccc5.[CH]1[CH][CH][CH][CH]1.[Fe]
【MOL File】
1-(4,5-DIHYDRO-4-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4,5-DIHYDRO-4-PHENYL-2-OXAZOLYL)-2-(DIPHENYLPHOSPHINO) FERROCENE.cml