769151-89-5
4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H16 Br Cl F N3 O4
1Identification
【Name】
4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153623
【English Synonyms】
【Formula】
C23 H16 Br Cl F N3 O4
【MolWeight】
532.751
【Inchi】
InChI=1S/C23H16BrClFN3O4/c24-16-7-10-20(33-23(32)18-3-1-2-4-19(18)25)15(11-16)12-28-29-21(30)13-27-22(31)14-5-8-17(26)9-6-14/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=AXHCXMXIWIEHQM-KVSWJAHQSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccc(cc3)F)Br)Cl
【MOL File】
4-BR-2-(2-(((4-FLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml