765309-21-5
4-BR-2-(2-((2,4-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-((2,4-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC23 H17 Br Cl2 N2 O5
1Identification
【Name】
4-BR-2-(2-((2,4-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153833
【English Synonyms】
【Formula】
C23 H17 Br Cl2 N2 O5
【MolWeight】
552.206
【Inchi】
InChI=1S/C23H17BrCl2N2O5/c1-31-18-6-2-14(3-7-18)23(30)33-20-8-4-16(24)10-15(20)12-27-28-22(29)13-32-21-9-5-17(25)11-19(21)26/h2-12H,13H2,1H3,(H,28,29)/b27-12+
【InChIKey】
InChIKey=OBGRIBGYKZBYQP-KKMKTNMSSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3Cl)Cl)Br
【MOL File】
4-BR-2-(2-((2,4-DICH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((2,4-DICHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml