764702-05-8
4-(2-((3,4-DIMETHYLPHENOXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
Name4-(2-((3,4-DIMETHYLPHENOXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
1Identification
【Name】
4-(2-((3,4-DIMETHYLPHENOXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200168
【English Synonyms】
【Formula】
C26 H25 Cl N2 O5
【MolWeight】
480.945
【Inchi】
InChI=1S/C26H25ClN2O5/c1-4-32-24-14-19(6-12-23(24)34-26(31)20-7-9-21(27)10-8-20)15-28-29-25(30)16-33-22-11-5-17(2)18(3)13-22/h5-15H,4,16H2,1-3H3,(H,29,30)/b28-15+
【InChIKey】
InChIKey=YKOBJOBYEBHGEJ-RWPZCVJISA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)/C=N/NC(=O)COc3ccc(c(c3)C)C
【MOL File】
4-(2-((3,4-DIMETHYLP….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
4-(2-((3,4-DIMETHYLPHENOXY)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE.cml