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93590-86-4 | Benzoxazole, 2,2'-(1,4-phenylene)bis[5-ethyl-
CAS No: 93590-86-4 Catalog No: AG006F57 MDL No:
Product Description
Catalog Number:
AG006F57
Chemical Name:
Benzoxazole, 2,2'-(1,4-phenylene)bis[5-ethyl-
CAS Number:
93590-86-4
Molecular Formula:
C24H20N2O2
Molecular Weight:
368.4278
IUPAC Name:
5-ethyl-2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C24H20N2O2/c1-3-15-5-11-21-19(13-15)25-23(27-21)17-7-9-18(10-8-17)24-26-20-14-16(4-2)6-12-22(20)28-24/h5-14H,3-4H2,1-2H3
InChI Key:
GSXZJIKZMPTZBZ-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)nc(o2)c1ccc(cc1)c1nc2c(o1)ccc(c2)CC
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.436g/mol
Monoisotopic Mass:
368.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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