Home Nitriles 5-phenyl-1,3,4-oxadiazole-2-carbonitrile

5-phenyl-1,3,4-oxadiazole-2-carbonitrile

CAS No.:
68496-63-9
Catalog Number:
AG01AG3P
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AG3P
Chemical Name:
5-phenyl-1,3,4-oxadiazole-2-carbonitrile
CAS Number:
68496-63-9
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
MDL Number:
MFCD27920328
IUPAC Name:
5-phenyl-1,3,4-oxadiazole-2-carbonitrile
InChI:
InChI=1S/C9H5N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H
InChI Key:
KYRNWWWBJSHFJL-UHFFFAOYSA-N
SMILES:
N#Cc1nnc(o1)c1ccccc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties