767320-43-4
2-ETHOXY-4-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name2-ETHOXY-4-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
2-ETHOXY-4-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154464
【English Synonyms】
【Formula】
C22 H17 Cl2 N3 O4
【MolWeight】
458.299
【Inchi】
InChI=1S/C22H17Cl2N3O4/c1-2-30-20-10-14(12-26-27-21(28)15-4-3-9-25-13-15)5-8-19(20)31-22(29)17-7-6-16(23)11-18(17)24/h3-13H,2H2,1H3,(H,27,28)/b26-12+
【InChIKey】
InChIKey=FCRUIOXUXKPOCC-RPPGKUMJSA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)c3cccnc3
【MOL File】
2-ETHOXY-4-(2-(3-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHOXY-4-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml