769151-94-2
4-BR-2-(2-((2,3-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-((2,3-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
FormulaC25 H21 Br Cl2 N2 O5
1Identification
【Name】
4-BR-2-(2-((2,3-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153609
【English Synonyms】
【Formula】
C25 H21 Br Cl2 N2 O5
【MolWeight】
580.26
【Inchi】
InChI=1S/C25H21BrCl2N2O5/c1-2-12-33-19-9-6-16(7-10-19)25(32)35-21-11-8-18(26)13-17(21)14-29-30-23(31)15-34-22-5-3-4-20(27)24(22)28/h3-11,13-14H,2,12,15H2,1H3,(H,30,31)/b29-14+
【InChIKey】
InChIKey=FQEWJJUDPLADKX-IPPBACCNSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3cccc(c3Cl)Cl)Br
【MOL File】
4-BR-2-(2-((2,3-DICH….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-((2,3-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml