767307-55-1
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC22 H15 Br Cl F N2 O4
1Identification
【Name】
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153870
【English Synonyms】
【Formula】
C22 H15 Br Cl F N2 O4
【MolWeight】
505.725
【Inchi】
InChI=1S/C22H15BrClFN2O4/c23-15-5-10-20(31-22(29)18-3-1-2-4-19(18)24)14(11-15)12-26-27-21(28)13-30-17-8-6-16(25)7-9-17/h1-12H,13H2,(H,27,28)/b26-12+
【InChIKey】
InChIKey=IVRUFKCWIDQNKY-RPPGKUMJSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)F)Br)Cl
【MOL File】
4-BROMO-2-(2-((4-FLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml