765278-43-1
4-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC22 H16 Br F N2 O4
1Identification
【Name】
4-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720530
【English Synonyms】
【Formula】
C22 H16 Br F N2 O4
【MolWeight】
471.28
【Inchi】
InChI=1S/C22H16BrFN2O4/c23-20-4-2-1-3-19(20)22(28)30-18-9-5-15(6-10-18)13-25-26-21(27)14-29-17-11-7-16(24)8-12-17/h1-13H,14H2,(H,26,27)/b25-13+
【InChIKey】
InChIKey=FMSGTOJJDYAIBT-DHRITJCHSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)COc3ccc(cc3)F)Br
【MOL File】
4-(2-((4-FLUOROPHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml