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Home > Imidazoles > 1347815-22-8
1347815-22-8 | 1-CyanoMethyl-4,5-dicyano-2-(3-pyridyl)iMidazole, 97%
CAS No: 1347815-22-8 Catalog No: AG009IKP MDL No:
Product Description
Catalog Number:
AG009IKP
Chemical Name:
1-CyanoMethyl-4,5-dicyano-2-(3-pyridyl)iMidazole, 97%
CAS Number:
1347815-22-8
Molecular Formula:
C13H7N5
Molecular Weight:
233.2282
IUPAC Name:
1-(cyanomethyl)-2-pyridin-3-ylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C12H6N6/c13-3-5-18-11(7-15)10(6-14)17-12(18)9-2-1-4-16-8-9/h1-2,4,8H,5H2
InChI Key:
YFYJQLNRZRQLPF-UHFFFAOYSA-N
SMILES:
C#CCc1ncccc1c1nc(c([nH]1)C#N)C#N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.222g/mol
Monoisotopic Mass:
234.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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