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918107-40-1 | Oxazole, 2,2'-(1,4-phenylene)bis[5-(2,3,4-trimethylphenyl)-
CAS No: 918107-40-1 Catalog No: AG006LOO MDL No:
Product Description
Catalog Number:
AG006LOO
Chemical Name:
Oxazole, 2,2'-(1,4-phenylene)bis[5-(2,3,4-trimethylphenyl)-
CAS Number:
918107-40-1
Molecular Formula:
C30H28N2O2
Molecular Weight:
448.5555
IUPAC Name:
5-(2,3,4-trimethylphenyl)-2-[4-[5-(2,3,4-trimethylphenyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole
InChI:
InChI=1S/C30H28N2O2/c1-17-7-13-25(21(5)19(17)3)27-15-31-29(33-27)23-9-11-24(12-10-23)30-32-16-28(34-30)26-14-8-18(2)20(4)22(26)6/h7-16H,1-6H3
InChI Key:
FISZHLHDHPFNFX-UHFFFAOYSA-N
SMILES:
Cc1c(ccc(c1C)C)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccc(c(c1C)C)C
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.215g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.566g/mol
Monoisotopic Mass:
448.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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