769150-64-3
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
Name4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153937
【English Synonyms】
【Formula】
C27 H27 Br N2 O5
【MolWeight】
539.423
【Inchi】
InChI=1S/C27H27BrN2O5/c1-17(2)20-6-5-18(3)25(14-20)34-16-26(31)30-29-15-21-13-22(28)9-12-24(21)35-27(32)19-7-10-23(33-4)11-8-19/h5-15,17H,16H2,1-4H3,(H,30,31)/b29-15+
【InChIKey】
InChIKey=KDPQXYAEYKDGBW-WKULSOCRSA-N
【SMILES】
Cc1ccc(cc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)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:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE.cml