769150-15-4
2-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153993
【English Synonyms】
【Formula】
C26 H23 Br N2 O5
【MolWeight】
523.381
【Inchi】
InChI=1S/C26H23BrN2O5/c1-3-6-18-7-4-5-8-23(18)33-17-25(30)29-28-16-20-15-21(27)11-14-24(20)34-26(31)19-9-12-22(32-2)13-10-19/h3-5,7-16H,1,6,17H2,2H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=KBDQMLCAWKCSHL-LQKURTRISA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccccc3CC=C)Br
【MOL File】
2-(2-((2-ALLYLPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((2-ALLYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml