767289-51-0
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
Name4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
FormulaC26 H24 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153873
【English Synonyms】
【Formula】
C26 H24 Br Cl N2 O4
【MolWeight】
543.843
【Inchi】
InChI=1S/C26H24BrClN2O4/c1-16(2)18-9-8-17(3)24(13-18)33-15-25(31)30-29-14-19-12-20(27)10-11-23(19)34-26(32)21-6-4-5-7-22(21)28/h4-14,16H,15H2,1-3H3,(H,30,31)/b29-14+
【InChIKey】
InChIKey=XBPAFAUJLCMLBK-IPPBACCNSA-N
【SMILES】
Cc1ccc(cc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br)C(C)C
【MOL File】
4-BR-2-(2-((5-ISOPRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 2-CHLOROBENZOATE.cml