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21302-94-3 | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[6-butyl-
CAS No: 21302-94-3 Catalog No: AG0072Z1 MDL No:
Product Description
Catalog Number:
AG0072Z1
Chemical Name:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[6-butyl-
CAS Number:
21302-94-3
Molecular Formula:
C26H26N2O2S
Molecular Weight:
430.5618
IUPAC Name:
6-butyl-2-[5-(6-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
InChI:
InChI=1S/C26H26N2O2S/c1-3-5-7-17-9-11-19-21(15-17)29-25(27-19)23-13-14-24(31-23)26-28-20-12-10-18(8-6-4-2)16-22(20)30-26/h9-16H,3-8H2,1-2H3
InChI Key:
MAXZUHDOYBJEAQ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)oc(n2)c1ccc(s1)c1nc2c(o1)cc(cc2)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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