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134856-95-4 | 5,5'-Bibenzoxazole, 2,2'-bis(2-phenylethenyl)-
CAS No: 134856-95-4 Catalog No: AG00701W MDL No:
Product Description
Catalog Number:
AG00701W
Chemical Name:
5,5'-Bibenzoxazole, 2,2'-bis(2-phenylethenyl)-
CAS Number:
134856-95-4
Molecular Formula:
C30H20N2O2
Molecular Weight:
440.4920
IUPAC Name:
2-(2-phenylethenyl)-5-[2-(2-phenylethenyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole
InChI:
InChI=1S/C30H20N2O2/c1-3-7-21(8-4-1)11-17-29-31-25-19-23(13-15-27(25)33-29)24-14-16-28-26(20-24)32-30(34-28)18-12-22-9-5-2-6-10-22/h1-20H
InChI Key:
BZKUGBHEKMMOEZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1oc2c(n1)cc(cc2)c1ccc2c(c1)nc(o2)C=Cc1ccccc1
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.502g/mol
Monoisotopic Mass:
440.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
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