767310-41-8
3-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05720890
【English Synonyms】
【Formula】
C22 H15 Cl3 N2 O4
【MolWeight】
477.729
【Inchi】
InChI=1S/C22H15Cl3N2O4/c23-15-4-2-5-17(10-15)30-13-21(28)27-26-12-14-3-1-6-18(9-14)31-22(29)19-8-7-16(24)11-20(19)25/h1-12H,13H2,(H,27,28)/b26-12+
【InChIKey】
InChIKey=SJBDJBICZUOFIO-RPPGKUMJSA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)COc3cccc(c3)Cl
【MOL File】
3-(2-((3-CHLOROPHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml