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161563-43-5 | 1,3-Butanedione, 2,2'-[1,4-phenylenebis(azo)]bis[1-phenyl- (9CI)
CAS No: 161563-43-5 Catalog No: AG001VP6 MDL No:
Product Description
Catalog Number:
AG001VP6
Chemical Name:
1,3-Butanedione, 2,2'-[1,4-phenylenebis(azo)]bis[1-phenyl- (9CI)
CAS Number:
161563-43-5
Molecular Formula:
C26H22N4O4
Molecular Weight:
454.4773
IUPAC Name:
2-[[4-[(1,3-dioxo-1-phenylbutan-2-yl)diazenyl]phenyl]diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C26H22N4O4/c1-17(31)23(25(33)19-9-5-3-6-10-19)29-27-21-13-15-22(16-14-21)28-30-24(18(2)32)26(34)20-11-7-4-8-12-20/h3-16,23-24H,1-2H3
InChI Key:
YESSCKADPNMWIX-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccc(cc1)N=NC(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.164g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.486g/mol
Monoisotopic Mass:
454.164g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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