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142231-17-2 | Isoxazole, 5-phenyl-3-(2-phenylethyl)-
CAS No: 142231-17-2 Catalog No: AG001I12 MDL No:
Product Description
Catalog Number:
AG001I12
Chemical Name:
Isoxazole, 5-phenyl-3-(2-phenylethyl)-
CAS Number:
142231-17-2
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
5-phenyl-3-(2-phenylethyl)-1,2-oxazole
InChI:
InChI=1S/C17H15NO/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChI Key:
HYGIRLJDBQSCSZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCc1noc(c1)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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