767339-04-8
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153279
【English Synonyms】
【Formula】
C26 H25 Br N2 O4
【MolWeight】
509.397
【Inchi】
InChI=1S/C26H25BrN2O4/c1-17(2)20-10-9-18(3)24(14-20)32-16-25(30)29-28-15-21-13-22(27)11-12-23(21)33-26(31)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
【InChIKey】
InChIKey=DKHLBZXGBVIYGQ-RWPZCVJISA-N
【SMILES】
Cc1ccc(cc1OCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3)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
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((5-ISOPROPYL-2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml