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Home > Imidazoles > 108257-41-6
108257-41-6 | 4-CYANOIMIDAZOLE
CAS No: 108257-41-6 Catalog No: AG008SWC MDL No:MFCD19219933
Product Description
Catalog Number:
AG008SWC
Chemical Name:
4-CYANOIMIDAZOLE
CAS Number:
108257-41-6
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD19219933
IUPAC Name:
5-methyl-1H-imidazole-4-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-4-5(2-6)8-3-7-4/h3H,1H3,(H,7,8)
InChI Key:
KODWZZOTTOSNLW-UHFFFAOYSA-N
SMILES:
Cc1c(nc[nH]1)C#N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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