769150-87-0
4-BROMO-2-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC23 H18 Br Cl N2 O5
1Identification
【Name】
4-BROMO-2-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153913
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O5
【MolWeight】
517.761
【Inchi】
InChI=1S/C23H18BrClN2O5/c1-30-19-8-5-15(6-9-19)23(29)32-21-10-7-17(24)11-16(21)13-26-27-22(28)14-31-20-4-2-3-18(25)12-20/h2-13H,14H2,1H3,(H,27,28)/b26-13+
【InChIKey】
InChIKey=RLQQASMKGRMADK-LGJNPRDNSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3cccc(c3)Cl)Br
【MOL File】
4-BROMO-2-(2-((3-CHL….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-BROMO-2-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml