68399-86-0
DIAZO-2,4,5-TRIETHOXYBIPHENYL OXALATE
NameDIAZO-2,4,5-TRIETHOXYBIPHENYL OXALATE
FormulaC18 H21 N2 O3 . C2 H O4
1Identification
【Name】
DIAZO-2,4,5-TRIETHOXYBIPHENYL OXALATE
【CAS】
【MDL】
MFCD00171302
【English Synonyms】
【Formula】
C18 H21 N2 O3 . C2 H O4
【MolWeight】
402.401
【Inchi】
InChI=1S/C18H21N2O3.C2H2O4/c1-4-21-15-11-16(22-5-2)18(17(12-15)23-6-3)13-7-9-14(20-19)10-8-13;3-1(4)2(5)6/h7-12H,4-6H2,1-3H3;(H,3,4)(H,5,6)/q+1;/p-1
【InChIKey】
InChIKey=NTCPNBGSOJTMBX-UHFFFAOYSA-M
【SMILES】
CCOc1cc(c(c(c1)OCC)c2ccc(cc2)[N+]#N)OCC.C(=O)(C(=O)[O-])O
【MOL File】
DIAZO-2,4,5-TRIETHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIAZO-2,4,5-TRIETHOXYBIPHENYL OXALATE.cml