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113583-80-5 | 1,3,4-Oxadiazole, 2-(4-ethylphenyl)-5-phenyl-
CAS No: 113583-80-5 Catalog No: AG00091T MDL No:
Product Description
Catalog Number:
AG00091T
Chemical Name:
1,3,4-Oxadiazole, 2-(4-ethylphenyl)-5-phenyl-
CAS Number:
113583-80-5
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
2-(4-ethylphenyl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C16H14N2O/c1-2-12-8-10-14(11-9-12)16-18-17-15(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChI Key:
KCYXZONBRGRMPO-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1nnc(o1)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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