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2039-49-8 | Isoxazole, 3,5-diphenyl-
CAS No: 2039-49-8 Catalog No: AG00296K MDL No:MFCD00102581
Product Description
Catalog Number:
AG00296K
Chemical Name:
Isoxazole, 3,5-diphenyl-
CAS Number:
2039-49-8
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD00102581
IUPAC Name:
3,5-diphenyl-1,2-oxazole
InChI:
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
InChI Key:
HECRDSFKLUVCAY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1onc(c1)c1ccccc1
NSC Number:
5565
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Neglected disease - african sleeping sickness: recent synthetic and modeling advances. | Scientia pharmaceutica 20110101 |
| trans-Di-μ-acetato-κO:O'-bis-[2-(5-phenyl-isoxazolin-3-yl)phenyl-κC,N]dipalladium(II). | Acta crystallographica. Section E, Structure reports online 20080601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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