769153-48-2
2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153419
【English Synonyms】
【Formula】
C26 H23 Cl N2 O5
【MolWeight】
478.93
【Inchi】
InChI=1S/C26H23ClN2O5/c1-3-6-18-9-14-23(24(15-18)32-2)33-17-25(30)29-28-16-20-7-4-5-8-22(20)34-26(31)19-10-12-21(27)13-11-19/h3-5,7-16H,1,6,17H2,2H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=OWYIBBMLUYOSDF-LQKURTRISA-N
【SMILES】
COc1cc(ccc1OCC(=O)N/N=C/c2ccccc2OC(=O)c3ccc(cc3)Cl)CC=C
【MOL File】
2-(2-((4-ALLYL-2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml