Home Nitriles 2-(4-methyl-1H-imidazol-2-yl)acetonitrile

2-(4-methyl-1H-imidazol-2-yl)acetonitrile

CAS No.:
863399-39-7
Catalog Number:
AG01BGQP
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG01BGQP
Chemical Name:
2-(4-methyl-1H-imidazol-2-yl)acetonitrile
CAS Number:
863399-39-7
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD19218823
IUPAC Name:
2-(5-methyl-1H-imidazol-2-yl)acetonitrile
InChI:
InChI=1S/C6H7N3/c1-5-4-8-6(9-5)2-3-7/h4H,2H2,1H3,(H,8,9)
InChI Key:
XZZORRSDKILMNA-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)CC#N
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties