767333-85-7
4-(2-(2-(4-CHLOROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-ETHOXY-PH 4-CL-BENZOATE
Name4-(2-(2-(4-CHLOROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-ETHOXY-PH 4-CL-BENZOATE
1Identification
【Name】
4-(2-(2-(4-CHLOROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-ETHOXY-PH 4-CL-BENZOATE
【CAS】
【MDL】
MFCD06199615
【English Synonyms】
【Formula】
C25 H22 Cl2 N2 O5
【MolWeight】
501.364
【Inchi】
InChI=1S/C25H22Cl2N2O5/c1-3-32-23-14-17(4-13-22(23)34-25(31)18-5-7-19(26)8-6-18)15-28-29-24(30)16(2)33-21-11-9-20(27)10-12-21/h4-16H,3H2,1-2H3,(H,29,30)/b28-15+
【InChIKey】
InChIKey=QEJAYHKXPGZZJT-RWPZCVJISA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)/C=N/NC(=O)C(C)Oc3ccc(cc3)Cl
【MOL File】
4-(2-(2-(4-CHLOROPHE….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-(2-(2-(4-CHLOROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-ETHOXY-PH 4-CL-BENZOATE.cml