769153-35-7
2-ETHOXY-4-(2-(OXO(4-TOLUIDINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name2-ETHOXY-4-(2-(OXO(4-TOLUIDINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
2-ETHOXY-4-(2-(OXO(4-TOLUIDINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153436
【English Synonyms】
【Formula】
C25 H21 Cl2 N3 O5
【MolWeight】
514.363
【Inchi】
InChI=1S/C25H21Cl2N3O5/c1-3-34-22-12-16(6-11-21(22)35-25(33)19-10-7-17(26)13-20(19)27)14-28-30-24(32)23(31)29-18-8-4-15(2)5-9-18/h4-14H,3H2,1-2H3,(H,29,31)(H,30,32)/b28-14+
【InChIKey】
InChIKey=NXZOWHAXTFGBTK-CCVNUDIWSA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)C(=O)Nc3ccc(cc3)C
【MOL File】
2-ETHOXY-4-(2-(OXO(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHOXY-4-(2-(OXO(4-TOLUIDINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml