5580-57-4
3,3'-[(2-CHLORO-5-METHYL-P-PHENYLENE)BIS[IMINO(1-ACETYL-2-OXOETHYLENE)AZO]]BIS[4-CHLORO-N-(3-CHLORO-O-TOLYL)BENZAMIDE]
Name3,3'-[(2-CHLORO-5-METHYL-P-PHENYLENE)BIS[IMINO(1-ACETYL-2-OXOETHYLENE)AZO]]BIS[4-CHLORO-N-(3-CHLORO-O-TOLYL)BENZAMIDE]
1Identification
【Name】
3,3'-[(2-CHLORO-5-METHYL-P-PHENYLENE)BIS[IMINO(1-ACETYL-2-OXOETHYLENE)AZO]]BIS[4-CHLORO-N-(3-CHLORO-O-TOLYL)BENZAMIDE]
【CAS】
【MDL】
MFCD23160427
【English Synonyms】
【Formula】
C43 H35 Cl5 N8 O6
【MolWeight】
937.065
【Inchi】
InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)/b55-53+,56-54+
【InChIKey】
InChIKey=PFTIMORLWNOYIQ-DSZBTAPASA-N
【SMILES】
Cc1cc(c(cc1NC(=O)C(C(=O)C)/N=N/c2cc(ccc2Cl)C(=O)Nc3cccc(c3C)Cl)Cl)NC(=O)C(C(=O)C)/N=N/c4cc(ccc4Cl)C(=O)Nc5cccc(c5C)Cl
【MOL File】
3,3'-[(2-CHLORO-5-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:14
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-[(2-CHLORO-5-METHYL-P-PHENYLENE)BIS[IMINO(1-ACETYL-2-OXOETHYLENE)AZO]]BIS[4-CHLORO-N-(3-CHLORO-O-TOLYL)BENZAMIDE].cml