5280-78-4
N,N'-(2-CHLORO-1,4-PHENYLENE)BIS[4-[(2,5-DICHLOROPHENYL)AZO]-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE]
NameN,N'-(2-CHLORO-1,4-PHENYLENE)BIS[4-[(2,5-DICHLOROPHENYL)AZO]-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE]
1Identification
【Name】
N,N'-(2-CHLORO-1,4-PHENYLENE)BIS[4-[(2,5-DICHLOROPHENYL)AZO]-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE]
【CAS】
【MDL】
MFCD23160425
【English Synonyms】
【Formula】
C40 H23 Cl5 N6 O4
【MolWeight】
828.925
【Inchi】
InChI=1S/C40H23Cl5N6O4/c41-22-9-12-29(43)33(17-22)48-50-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)46-24-11-14-32(31(45)19-24)47-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)51-49-34-18-23(42)10-13-30(34)44/h1-19,52-53H,(H,46,54)(H,47,55)/b50-48+,51-49+
【InChIKey】
InChIKey=IJBLMBVNVKWXHY-BSLTZQBWSA-N
【SMILES】
c1ccc2c(c1)cc(c(c2/N=N/c3cc(ccc3Cl)Cl)O)C(=O)Nc4ccc(c(c4)Cl)NC(=O)c5cc6ccccc6c(c5O)/N=N/c7cc(ccc7Cl)Cl
【MOL File】
N,N'-(2-CHLORO-1,4-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:10
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N'-(2-CHLORO-1,4-PHENYLENE)BIS[4-[(2,5-DICHLOROPHENYL)AZO]-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE].cml