769150-40-5
4-BROMO-2-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153965
【English Synonyms】
【Formula】
C24 H21 Br N2 O5
【MolWeight】
497.343
【Inchi】
InChI=1S/C24H21BrN2O5/c1-16-5-3-4-6-21(16)31-15-23(28)27-26-14-18-13-19(25)9-12-22(18)32-24(29)17-7-10-20(30-2)11-8-17/h3-14H,15H2,1-2H3,(H,27,28)/b26-14+
【InChIKey】
InChIKey=QGXGHEJLKDZFAS-VULFUBBASA-N
【SMILES】
Cc1ccccc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BROMO-2-(2-((2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml