HFPB

120945-63-3

MFCD01863091

C56 H36 B F48 O8 . Na . 3 H2 O

1836.64

InChI=1S/C56H36BF48O8.Na.3H2O/c1-106-33(41(58,59)60,42(61,62)63)21-9-22(34(107-2,43(64,65)66)44(67,68)69)14-29(13-21)57(30-15-23(35(108-3,45(70,71)72)46(73,74)75)10-24(16-30)36(109-4,47(76,77)78)48(79,80)81,31-17-25(37(110-5,49(82,83)84)50(85,86)87)11-26(18-31)38(111-6,51(88,89)90)52(91,92)93)32-19-27(39(112-7,53(94,95)96)54(97,98)99)12-28(20-32)40(113-8,55(100,101)102)56(103,104)105;;;;/h9-20H,1-8H3;;3*1H2/q-1;+1;;;

InChIKey=HQYSIIBSDLWUEX-UHFFFAOYSA-N

[B-](c1cc(cc(c1)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)(c2cc(cc(c2)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)(c3cc(cc(c3)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)c4cc(cc(c4)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC.O.O.O.[Na+]

pro_donors:0

pro_acceptors:8

XLogP3:19.0

Bulk/Fine:F