765309-87-3
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC23 H18 Br F N2 O5
1Identification
【Name】
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153823
【English Synonyms】
【Formula】
C23 H18 Br F N2 O5
【MolWeight】
501.306
【Inchi】
InChI=1S/C23H18BrFN2O5/c1-30-19-7-2-15(3-8-19)23(29)32-21-11-4-17(24)12-16(21)13-26-27-22(28)14-31-20-9-5-18(25)6-10-20/h2-13H,14H2,1H3,(H,27,28)/b26-13+
【InChIKey】
InChIKey=KYRFMJBFAJSLTP-LGJNPRDNSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)F)Br
【MOL File】
4-BROMO-2-(2-((4-FLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml