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16151-03-4 | 1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-phenyl-
CAS No: 16151-03-4 Catalog No: AG001VNC MDL No:MFCD02650635
Product Description
Catalog Number:
AG001VNC
Chemical Name:
1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-phenyl-
CAS Number:
16151-03-4
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
MDL Number:
MFCD02650635
IUPAC Name:
3-(4-methylphenyl)-5-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C15H12N2O/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
GZLTUHPTDPXMHI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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