765902-81-6
5-((4-CHLOROBENZOYL)OXY)-2-(2-(2-METHYLBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
Name5-((4-CHLOROBENZOYL)OXY)-2-(2-(2-METHYLBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
1Identification
【Name】
5-((4-CHLOROBENZOYL)OXY)-2-(2-(2-METHYLBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
【CAS】
【MDL】
MFCD06199934
【English Synonyms】
【Formula】
C29 H20 Cl2 N2 O5
【MolWeight】
547.392
【Inchi】
InChI=1S/C29H20Cl2N2O5/c1-18-4-2-3-5-25(18)27(34)33-32-17-21-10-15-24(37-28(35)19-6-11-22(30)12-7-19)16-26(21)38-29(36)20-8-13-23(31)14-9-20/h2-17H,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=BIODQLMYPYRIRW-VTNSRFBWSA-N
【SMILES】
Cc1ccccc1C(=O)N/N=C/c2ccc(cc2OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl
【MOL File】
5-((4-CHLOROBENZOYL)….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
5-((4-CHLOROBENZOYL)OXY)-2-(2-(2-METHYLBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE.cml