Home Other Building Blocks 3-PHENYL-1,2,4-OXADIAZOLE-5-CARBONITRILE

3-PHENYL-1,2,4-OXADIAZOLE-5-CARBONITRILE

CAS No.:
37760-53-5
Catalog Number:
AG01DST4
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
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Product Description
Catalog Number:
AG01DST4
Chemical Name:
3-PHENYL-1,2,4-OXADIAZOLE-5-CARBONITRILE
CAS Number:
37760-53-5
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
MDL Number:
MFCD26785355
IUPAC Name:
3-phenyl-1,2,4-oxadiazole-5-carbonitrile
InChI:
InChI=1S/C9H5N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H
InChI Key:
HVJAGCDLCIKAHC-UHFFFAOYSA-N
SMILES:
N#Cc1onc(n1)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:
2.7  
Properties