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Home > Imidazoles > 112108-89-1
112108-89-1 | 1H-Imidazole-4-carbonitrile, 2-ethyl-5-methyl-
CAS No: 112108-89-1 Catalog No: AG0083FC MDL No:
Product Description
Catalog Number:
AG0083FC
Chemical Name:
1H-Imidazole-4-carbonitrile, 2-ethyl-5-methyl-
CAS Number:
112108-89-1
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
IUPAC Name:
2-ethyl-5-methyl-1H-imidazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-7-9-5(2)6(4-8)10-7/h3H2,1-2H3,(H,9,10)
InChI Key:
DVOUNUJDHHZFRS-UHFFFAOYSA-N
SMILES:
CCc1nc(c([nH]1)C)C#N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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