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106184-50-3 | Naphth[2,1-d]oxazole, 2,2'-(1,4-phenylene)bis-
CAS No: 106184-50-3 Catalog No: AG007DJX MDL No:
Product Description
Catalog Number:
AG007DJX
Chemical Name:
Naphth[2,1-d]oxazole, 2,2'-(1,4-phenylene)bis-
CAS Number:
106184-50-3
Molecular Formula:
C28H16N2O2
Molecular Weight:
412.4388
IUPAC Name:
2-(4-benzo[g][1,3]benzoxazol-2-ylphenyl)benzo[g][1,3]benzoxazole
InChI:
InChI=1S/C28H16N2O2/c1-3-7-21-17(5-1)13-15-23-25(21)31-27(29-23)19-9-11-20(12-10-19)28-30-24-16-14-18-6-2-4-8-22(18)26(24)32-28/h1-16H
InChI Key:
AIUWYCZCLJOKEP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1oc(nc1cc2)c1ccc(cc1)c1nc2c(o1)c1ccccc1cc2
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.121g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.448g/mol
Monoisotopic Mass:
412.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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