929719-06-2
5-[2-(3-METHOXYPHENYL)-3-NITROPROPYL]-3-METHYL-4-NITRO-ISOXAZOLE
Name5-[2-(3-METHOXYPHENYL)-3-NITROPROPYL]-3-METHYL-4-NITRO-ISOXAZOLE
1Identification
【Name】
5-[2-(3-METHOXYPHENYL)-3-NITROPROPYL]-3-METHYL-4-NITRO-ISOXAZOLE
【CAS】
【MDL】
MFCD16250070
【English Synonyms】
【Formula】
C14 H15 N3 O6
【MolWeight】
321.288
【Inchi】
InChI=1S/C14H15N3O6/c1-9-14(17(20)21)13(23-15-9)7-11(8-16(18)19)10-4-3-5-12(6-10)22-2/h3-6,11H,7-8H2,1-2H3
【InChIKey】
InChIKey=NOHVSWKWWJAXCN-UHFFFAOYSA-N
【SMILES】
Cc1c(c(on1)CC(C[N+](=O)[O-])c2cccc(c2)OC)[N+](=O)[O-]
【MOL File】
5-[2-(3-METHOXYPHENY….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
5-[2-(3-METHOXYPHENYL)-3-NITROPROPYL]-3-METHYL-4-NITRO-ISOXAZOLE.cml