769157-13-3
4-BROMO-2-(2-((4-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((4-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H18 Br Cl N2 O4
1Identification
【Name】
4-BROMO-2-(2-((4-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154281
【English Synonyms】
【Formula】
C23 H18 Br Cl N2 O4
【MolWeight】
501.762
【Inchi】
InChI=1S/C23H18BrClN2O4/c1-15-6-9-18(10-7-15)30-14-22(28)27-26-13-16-12-17(24)8-11-21(16)31-23(29)19-4-2-3-5-20(19)25/h2-13H,14H2,1H3,(H,27,28)/b26-13+
【InChIKey】
InChIKey=SUERFTHVDUCAOQ-LGJNPRDNSA-N
【SMILES】
Cc1ccc(cc1)OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-((4-MET….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-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml