866151-12-4
ETHYL 1-(2,4-DINITROPHENYL)-3-AZETANECARBOXYLATE
NameETHYL 1-(2,4-DINITROPHENYL)-3-AZETANECARBOXYLATE
1Identification
【Name】
ETHYL 1-(2,4-DINITROPHENYL)-3-AZETANECARBOXYLATE
【CAS】
【MDL】
MFCD05669147
【English Synonyms】
【Formula】
C12 H13 N3 O6
【MolWeight】
295.25
【Inchi】
InChI=1S/C12H13N3O6/c1-2-21-12(16)8-6-13(7-8)10-4-3-9(14(17)18)5-11(10)15(19)20/h3-5,8H,2,6-7H2,1H3
【InChIKey】
InChIKey=GFHWJFIQEQDYBL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CN(C1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
ETHYL 1-(2,4-DINITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1-(2,4-DINITROPHENYL)-3-AZETANECARBOXYLATE.cml