477729-56-9
4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
FormulaC23 H18 Br Cl N2 O5
1Identification
【Name】
4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD00641902
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O5
【MolWeight】
517.761
【Inchi】
InChI=1S/C23H18BrClN2O5/c1-30-21-10-15(8-9-20(21)32-23(29)16-4-2-5-17(24)11-16)13-26-27-22(28)14-31-19-7-3-6-18(25)12-19/h2-13H,14H2,1H3,(H,27,28)/b26-13+
【InChIKey】
InChIKey=XFQTVBIXJNOLHG-LGJNPRDNSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)COc3cccc(c3)Cl
【MOL File】
4-(2-((3-CHLOROPHENO….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-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml