769150-31-4
3-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
3-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153973
【English Synonyms】
【Formula】
C26 H23 Cl N2 O5
【MolWeight】
478.93
【Inchi】
InChI=1S/C26H23ClN2O5/c1-3-5-18-8-13-23(24(15-18)32-2)33-17-25(30)29-28-16-19-6-4-7-22(14-19)34-26(31)20-9-11-21(27)12-10-20/h3-4,6-16H,1,5,17H2,2H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=UQQVXYVMCHOOAP-LQKURTRISA-N
【SMILES】
COc1cc(ccc1OCC(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3)Cl)CC=C
【MOL File】
3-(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
3-(2-((4-ALLYL-2-METHOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml