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24248-88-2 | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-butyl-
CAS No: 24248-88-2 Catalog No: AG007NY2 MDL No:
Product Description
Catalog Number:
AG007NY2
Chemical Name:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-butyl-
CAS Number:
24248-88-2
Molecular Formula:
C26H26N2O2S
Molecular Weight:
430.5618
IUPAC Name:
5-butyl-2-[5-(5-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
InChI:
InChI=1S/C26H26N2O2S/c1-3-5-7-17-9-11-21-19(15-17)27-25(29-21)23-13-14-24(31-23)26-28-20-16-18(8-6-4-2)10-12-22(20)30-26/h9-16H,3-8H2,1-2H3
InChI Key:
QMQLMMCLEULPQZ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)CCCC
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.171g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.566g/mol
Monoisotopic Mass:
430.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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