221558-09-4
ETHYL 4-METHYL-2,6-BIS(3-NITROPHENYL)PYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-METHYL-2,6-BIS(3-NITROPHENYL)PYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-METHYL-2,6-BIS(3-NITROPHENYL)PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD16660623
【English Synonyms】
【Formula】
C20 H16 N4 O6
【MolWeight】
408.368
【Inchi】
InChI=1S/C20H16N4O6/c1-3-30-20(25)17-12(2)21-19(14-7-5-9-16(11-14)24(28)29)22-18(17)13-6-4-8-15(10-13)23(26)27/h4-11H,3H2,1-2H3
【InChIKey】
InChIKey=IRMIOOGQGFCQCO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(nc1c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-])C
【MOL File】
ETHYL 4-METHYL-2,6-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-METHYL-2,6-BIS(3-NITROPHENYL)PYRIMIDINE-5-CARBOXYLATE.cml