767289-02-1
4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153898
【English Synonyms】
【Formula】
C26 H25 Br N2 O5
【MolWeight】
525.396
【Inchi】
InChI=1S/C26H25BrN2O5/c1-17(2)18-4-11-23(12-5-18)33-16-25(30)29-28-15-20-14-21(27)8-13-24(20)34-26(31)19-6-9-22(32-3)10-7-19/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
【InChIKey】
InChIKey=VVVYPANWIYUAHF-RWPZCVJISA-N
【SMILES】
CC(C)c1ccc(cc1)OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BR-2-(2-((4-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-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml