769151-97-5
4-((4-CHLOROBENZYL)OXY)-3-METHOXYBENZALDEHYDE N-(3-CL-PH)THIOSEMICARBAZONE
Name4-((4-CHLOROBENZYL)OXY)-3-METHOXYBENZALDEHYDE N-(3-CL-PH)THIOSEMICARBAZONE
FormulaC22 H19 Cl2 N3 O2 S
1Identification
【Name】
4-((4-CHLOROBENZYL)OXY)-3-METHOXYBENZALDEHYDE N-(3-CL-PH)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05153604
【English Synonyms】
【Formula】
C22 H19 Cl2 N3 O2 S
【MolWeight】
460.383
【Inchi】
InChI=1S/C22H19Cl2N3O2S/c1-28-21-11-16(7-10-20(21)29-14-15-5-8-17(23)9-6-15)13-25-27-22(30)26-19-4-2-3-18(24)12-19/h2-13H,14H2,1H3,(H2,26,27,30)/b25-13+
【InChIKey】
InChIKey=DCVFZGOXFYTINP-DHRITJCHSA-N
【SMILES】
COc1cc(ccc1OCc2ccc(cc2)Cl)/C=N/NC(=S)Nc3cccc(c3)Cl
【MOL File】
4-((4-CHLOROBENZYL)O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-CHLOROBENZYL)OXY)-3-METHOXYBENZALDEHYDE N-(3-CL-PH)THIOSEMICARBAZONE.cml