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86806-19-1 | Oxazole, 2,2'-(1,4-phenylene)bis[5-(2,5-dimethylphenyl)-
CAS No: 86806-19-1 Catalog No: AG004J33 MDL No:
Product Description
Catalog Number:
AG004J33
Chemical Name:
Oxazole, 2,2'-(1,4-phenylene)bis[5-(2,5-dimethylphenyl)-
CAS Number:
86806-19-1
Molecular Formula:
C28H24N2O2
Molecular Weight:
420.5024
IUPAC Name:
5-(2,5-dimethylphenyl)-2-[4-[5-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole
InChI:
InChI=1S/C28H24N2O2/c1-17-5-7-19(3)23(13-17)25-15-29-27(31-25)21-9-11-22(12-10-21)28-30-16-26(32-28)24-14-18(2)6-8-20(24)4/h5-16H,1-4H3
InChI Key:
KEQPJJKZVADBSZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1cc(C)ccc1C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.184g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.512g/mol
Monoisotopic Mass:
420.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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