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29329-38-2 | Isoxazole, 3-(4-Methylphenyl)-5-phenyl-
CAS No: 29329-38-2 Catalog No: AG002Y2D MDL No:
Product Description
Catalog Number:
AG002Y2D
Chemical Name:
Isoxazole, 3-(4-Methylphenyl)-5-phenyl-
CAS Number:
29329-38-2
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-(4-methylphenyl)-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C16H13NO/c1-12-7-9-13(10-8-12)15-11-16(18-17-15)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
AUEHGTQWNAPNBC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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