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820972-47-2 | Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis[5-(1-methylpropyl)-
CAS No: 820972-47-2 Catalog No: AG005BXF MDL No:
Product Description
Catalog Number:
AG005BXF
Chemical Name:
Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis[5-(1-methylpropyl)-
CAS Number:
820972-47-2
Molecular Formula:
C32H30N2O2
Molecular Weight:
474.5928
IUPAC Name:
5-butan-2-yl-2-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
InChI:
InChI=1S/C32H30N2O2/c1-5-19(3)21-11-15-29-27(17-21)33-31(35-29)25-13-14-26(24-10-8-7-9-23(24)25)32-34-28-18-22(20(4)6-2)12-16-30(28)36-32/h7-20H,5-6H2,1-4H3
InChI Key:
GSYZWWPQSYWUPK-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)nc(o2)c1ccc(c2c1cccc2)c1nc2c(o1)ccc(c2)C(CC)C)C
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.231g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.604g/mol
Monoisotopic Mass:
474.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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