Home Other Building Blocks 2-(2H-1,2,3-TRIAZOL-2-YL)ACETONITRILE

2-(2H-1,2,3-TRIAZOL-2-YL)ACETONITRILE

CAS No.:
1554159-63-5
Catalog Number:
AG01DVN6
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
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Product Description
Catalog Number:
AG01DVN6
Chemical Name:
2-(2H-1,2,3-TRIAZOL-2-YL)ACETONITRILE
CAS Number:
1554159-63-5
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
MDL Number:
MFCD28635447
IUPAC Name:
2-(triazol-2-yl)acetonitrile
InChI:
InChI=1S/C4H4N4/c5-1-4-8-6-2-3-7-8/h2-3H,4H2
InChI Key:
KJBVJICJPIWZMW-UHFFFAOYSA-N
SMILES:
N#CCn1nccn1
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.044g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.104g/mol
Monoisotopic Mass:
108.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties