763109-45-1
5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE
Name5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE
1Identification
【Name】
5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE
【CAS】
【MDL】
MFCD06199338
【English Synonyms】
【Formula】
C12 H11 N3 O4
【MolWeight】
261.236
【Inchi】
InChI=1S/C12H11N3O4/c13-14-12(16)8-6-10(19-15-8)7-1-2-9-11(5-7)18-4-3-17-9/h1-2,5-6H,3-4,13H2,(H,14,16)
【InChIKey】
InChIKey=CXPJAJOMIBONBP-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1c3cc(no3)C(=O)NN)OCCO2
【MOL File】
5-(2,3-DIHYDROBENZO[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOHYDRAZIDE.cml