Home Other Building Blocks 5-phenyl-1,2,4-oxadiazole

5-phenyl-1,2,4-oxadiazole

CAS No.:
16494-52-3
Catalog Number:
AG01ACBB
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
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Product Description
Catalog Number:
AG01ACBB
Chemical Name:
5-phenyl-1,2,4-oxadiazole
CAS Number:
16494-52-3
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00956159
IUPAC Name:
5-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H
InChI Key:
SNFAEUZNFIYGNA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncno1
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
On the synthesis and reactivity of the Z-2,4-dinitrophenylhydrazone of 5-amino-3-benzoyl-1,2,4-oxadiazole. The Journal of organic chemistry 20010907
Properties