Home Nitriles 4-((1,2,4-oxadiazol-5-yl)methyl)benzonitrile

4-((1,2,4-oxadiazol-5-yl)methyl)benzonitrile

CAS No.:
1698800-71-3
Catalog Number:
AG01CA4Y
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
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Product Description
Catalog Number:
AG01CA4Y
Chemical Name:
4-((1,2,4-oxadiazol-5-yl)methyl)benzonitrile
CAS Number:
1698800-71-3
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
MDL Number:
MFCD30278663
IUPAC Name:
4-(1,2,4-oxadiazol-5-ylmethyl)benzonitrile
InChI:
InChI=1S/C10H7N3O/c11-6-9-3-1-8(2-4-9)5-10-12-7-13-14-10/h1-4,7H,5H2
InChI Key:
JPAHEIUTQXGQNI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cc1ncno1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties