Home Other Building Blocks 1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-one

1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-one

CAS No.:
90770-98-2
Catalog Number:
AG01C5JD
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG01C5JD
Chemical Name:
1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-one
CAS Number:
90770-98-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD18335246
IUPAC Name:
1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanone
InChI:
InChI=1S/C10H8N2O2/c1-7(13)10-11-9(12-14-10)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
ITQGVTVDDYRSMS-UHFFFAOYSA-N
SMILES:
CC(=O)c1onc(n1)c1ccccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties