71821-50-6
1-(BETA-(4-(P-CHLORPHENOXY)-BUTOXY-2,4-DICHLORPHENAETHYL))-IMIDAZOL-NI TRAT [GERMAN]
Name1-(BETA-(4-(P-CHLORPHENOXY)-BUTOXY-2,4-DICHLORPHENAETHYL))-IMIDAZOL-NI TRAT [GERMAN]
FormulaC21 H21 Cl3 N2 O2 . H N O3
1Identification
【Name】
1-(BETA-(4-(P-CHLORPHENOXY)-BUTOXY-2,4-DICHLORPHENAETHYL))-IMIDAZOL-NI TRAT [GERMAN]
【CAS】
【MDL】
MFCD01721664
【English Synonyms】
【Formula】
C21 H21 Cl3 N2 O2 . H N O3
【MolWeight】
502.78
【Inchi】
InChI=1S/C21H21Cl3N2O2.HNO3/c22-16-3-6-18(7-4-16)27-11-1-2-12-28-21(14-26-10-9-25-15-26)19-8-5-17(23)13-20(19)24;2-1(3)4/h3-10,13,15,21H,1-2,11-12,14H2;(H,2,3,4)
【InChIKey】
InChIKey=ATEAHSCHVDMVOT-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCCCCOC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-]
【MOL File】
1-(BETA-(4-(P-CHLORP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(BETA-(4-(P-CHLORPHENOXY)-BUTOXY-2,4-DICHLORPHENAETHYL))-IMIDAZOL-NI TRAT [GERMAN].cml