764653-75-0
5-((4-CL-BENZOYL)OXY)-2-(2-(2-METHOXYBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
Name5-((4-CL-BENZOYL)OXY)-2-(2-(2-METHOXYBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
1Identification
【Name】
5-((4-CL-BENZOYL)OXY)-2-(2-(2-METHOXYBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
【CAS】
【MDL】
MFCD05720381
【English Synonyms】
【Formula】
C29 H20 Cl2 N2 O6
【MolWeight】
563.391
【Inchi】
InChI=1S/C29H20Cl2N2O6/c1-37-25-5-3-2-4-24(25)27(34)33-32-17-20-10-15-23(38-28(35)18-6-11-21(30)12-7-18)16-26(20)39-29(36)19-8-13-22(31)14-9-19/h2-17H,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=OIHZVLJWELQITL-VTNSRFBWSA-N
【SMILES】
COc1ccccc1C(=O)N/N=C/c2ccc(cc2OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl
【MOL File】
5-((4-CL-BENZOYL)OXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((4-CL-BENZOYL)OXY)-2-(2-(2-METHOXYBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE.cml