957206-65-4
4-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORONONYLOXY)BENZYL ALCOHOL
Name4-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORONONYLOXY)BENZYL ALCOHOL
1Identification
【Name】
4-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORONONYLOXY)BENZYL ALCOHOL
【CAS】
【MDL】
MFCD04973816
【English Synonyms】
4-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORONONYLOXY)BENZYL ALCOHOL
【Formula】
C16 H13 F13 O2
【MolWeight】
484.251
【Inchi】
InChI=1S/C16H13F13O2/c17-11(18,6-1-7-31-10-4-2-9(8-30)3-5-10)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5,30H,1,6-8H2
【InChIKey】
InChIKey=PLXJZTAXKGDVFR-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CO)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
【MOL File】
4-(4,4,5,5,6,6,7,7,8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORONONYLOXY)BENZYL ALCOHOL.cml