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7396-30-7 | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1,3,3-tetramethylbutyl)-
CAS No: 7396-30-7 Catalog No: AG005V8K MDL No:
Product Description
Catalog Number:
AG005V8K
Chemical Name:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
7396-30-7
Molecular Formula:
C34H42N2O2S
Molecular Weight:
542.7745
IUPAC Name:
5-(2,4,4-trimethylpentan-2-yl)-2-[5-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]thiophen-2-yl]-1,3-benzoxazole
InChI:
InChI=1S/C34H42N2O2S/c1-31(2,3)19-33(7,8)21-11-13-25-23(17-21)35-29(37-25)27-15-16-28(39-27)30-36-24-18-22(12-14-26(24)38-30)34(9,10)20-32(4,5)6/h11-18H,19-20H2,1-10H3
InChI Key:
SJDYJNSQNFBHQO-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(CC(C)(C)C)(C)C)(C)C)(C)C
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.297g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.782g/mol
Monoisotopic Mass:
542.297g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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