Home Halogens 2-(5-chloro-1-methyl-1H-imidazol-2-yl)acetonitrile

2-(5-chloro-1-methyl-1H-imidazol-2-yl)acetonitrile

CAS No.:
61997-06-6
Catalog Number:
AG019WGV
Molecular Formula:
C6H6ClN3
Molecular Weight:
155.5849
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Product Description
Catalog Number:
AG019WGV
Chemical Name:
2-(5-chloro-1-methyl-1H-imidazol-2-yl)acetonitrile
CAS Number:
61997-06-6
Molecular Formula:
C6H6ClN3
Molecular Weight:
155.5849
MDL Number:
MFCD12913034
IUPAC Name:
2-(5-chloro-1-methylimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C6H6ClN3/c1-10-5(7)4-9-6(10)2-3-8/h4H,2H2,1H3
InChI Key:
OBETXBFHKKKVMT-UHFFFAOYSA-N
SMILES:
Cn1c(CC#N)ncc1Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.585g/mol
Monoisotopic Mass:
155.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties