71821-41-5
1-(2-(2-(4-CHLOROPHENOXY)ETHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDA ZOLE NITRATE
Name1-(2-(2-(4-CHLOROPHENOXY)ETHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDA ZOLE NITRATE
FormulaC19 H17 Cl3 N2 O2 . H N O3
1Identification
【Name】
1-(2-(2-(4-CHLOROPHENOXY)ETHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDA ZOLE NITRATE
【CAS】
【MDL】
MFCD01721666
【English Synonyms】
【Formula】
C19 H17 Cl3 N2 O2 . H N O3
【MolWeight】
474.726
【Inchi】
InChI=1S/C19H17Cl3N2O2.HNO3/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22;2-1(3)4/h1-8,11,13,19H,9-10,12H2;(H,2,3,4)
【InChIKey】
InChIKey=MGTUQFCKCOPXBY-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]
【MOL File】
1-(2-(2-(4-CHLOROPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(2-(4-CHLOROPHENOXY)ETHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDA ZOLE NITRATE.cml