767330-14-3
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
Name4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
FormulaC23 H21 Cl F N3 O2 S
1Identification
【Name】
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199732
【English Synonyms】
【Formula】
C23 H21 Cl F N3 O2 S
【MolWeight】
457.955
【Inchi】
InChI=1S/C23H21ClFN3O2S/c1-2-29-22-13-17(5-12-21(22)30-15-16-3-6-18(24)7-4-16)14-26-28-23(31)27-20-10-8-19(25)9-11-20/h3-14H,2,15H2,1H3,(H2,27,28,31)/b26-14+
【InChIKey】
InChIKey=QFRVEDRXGUYKEV-VULFUBBASA-N
【SMILES】
CCOc1cc(ccc1OCc2ccc(cc2)Cl)/C=N/NC(=S)Nc3ccc(cc3)F
【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-ETHOXYBENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE.cml