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89479-74-3 | 1,4,2-Dioxazole, 5-(3,5-diphenyl-4-isoxazolyl)-3-phenyl-
CAS No: 89479-74-3 Catalog No: AG0087RY MDL No:
Product Description
Catalog Number:
AG0087RY
Chemical Name:
1,4,2-Dioxazole, 5-(3,5-diphenyl-4-isoxazolyl)-3-phenyl-
CAS Number:
89479-74-3
Molecular Formula:
C23H16N2O3
Molecular Weight:
368.3847
IUPAC Name:
5-(3,5-diphenyl-1,2-oxazol-4-yl)-3-phenyl-1,4,2-dioxazole
InChI:
InChI=1S/C23H16N2O3/c1-4-10-16(11-5-1)20-19(21(27-24-20)17-12-6-2-7-13-17)23-26-22(25-28-23)18-14-8-3-9-15-18/h1-15,23H
InChI Key:
PWODEQXLEYLHNU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOC(O1)c1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.392g/mol
Monoisotopic Mass:
368.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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