257932-08-4
8-PHENYL-4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE
Name8-PHENYL-4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE
1Identification
【Name】
8-PHENYL-4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE
【CAS】
【MDL】
MFCD00299046
【English Synonyms】
【Formula】
C14 H10 N4 O2
【MolWeight】
266.259
【Inchi】
InChI=1S/C14H10N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
【InChIKey】
InChIKey=GFEMPVPBJKWUBS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc-3c(nn2)CCc4c3no[n+]4[O-]
【MOL File】
8-PHENYL-4,5-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-PHENYL-4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE.cml