64857-70-1
1,2-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIAZ-1-EN-1-IUM-1-OLATE
Name1,2-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIAZ-1-EN-1-IUM-1-OLATE
1Identification
【Name】
1,2-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIAZ-1-EN-1-IUM-1-OLATE
【CAS】
【MDL】
MFCD00018049
【English Synonyms】
【Formula】
C16 H6 F12 N2 O
【MolWeight】
470.212
【Inchi】
InChI=1S/C16H6F12N2O/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-30(31)12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H/b30-29-
【InChIKey】
InChIKey=NLLGREOVFJGJFG-FLWNBWAVSA-N
【SMILES】
c1c(cc(cc1C(F)(F)F)/N=[N+](/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)\[O-])C(F)(F)F
【MOL File】
1,2-DI[3,5-DI(TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIAZ-1-EN-1-IUM-1-OLATE.cml