93776-31-9
BIS(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-DOTRIACONTAFLUORO-17-(TRIFLUOROMETHYL)OCTADECYL) HYDROGEN PHOSPHATE, COMPOUND WITH 2,2-IMINODIETHANOL (1:1)
Name
BIS(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-DOTRIACONTAFLUORO-17-(TRIFLUOROMETHYL)OCTADECYL) HYDROGEN PHOSPHATE, COMPOUND WITH 2,2-IMINODIETHANOL (1:1)
pro_formula
C38 H9 F70 O4 P . C4 H11 N O2
pro_molWeight
1995.45
1Identification
【Name】
BIS(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-DOTRIACONTAFLUORO-17-(TRIFLUOROMETHYL)OCTADECYL) HYDROGEN PHOSPHATE, COMPOUND WITH 2,2-IMINODIETHANOL (1:1)
【CAS】
【MDL】
MFCD21608148
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C38 H9 F70 O4 P . C4 H11 N O2
【pro_molWeight】
1995.45
【Inchi】
InChI=1S/C38H9F70O4P.C4H11NO2/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108;6-3-1-5-2-4-7/h1-4H2,(H,109,110);5-7H,1-4H2
【InChIKey】
InChIKey=USUQVGQWXMPNTE-UHFFFAOYSA-N
【SMILES】
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(CO)NCCO
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:31.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BIS(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-DOTRIACONTAFLUORO-17-(TRIFLUOROMETHYL)OCTADECYL) HYDROGEN PHOSPHATE, COMPOUND WITH 2,2-IMINODIETHANOL (1:1).cml
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