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112108-87-9 | 1H-Imidazole-4-carbonitrile, 2-ethyl-
CAS No: 112108-87-9 Catalog No: AG007UPI MDL No:
Product Description
Catalog Number:
AG007UPI
Chemical Name:
1H-Imidazole-4-carbonitrile, 2-ethyl-
CAS Number:
112108-87-9
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
IUPAC Name:
2-ethyl-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-2-6-8-4-5(3-7)9-6/h4H,2H2,1H3,(H,8,9)
InChI Key:
SQPCINATQLRGCO-UHFFFAOYSA-N
SMILES:
CCc1[nH]cc(n1)C#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:
0.9
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