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Home > Imidazoles > 158020-84-9
158020-84-9 | 4-Pyridinecarbonitrile, 2-(1H-imidazol-1-yl)-
CAS No: 158020-84-9 Catalog No: AG001PXD MDL No:MFCD09929166
Product Description
Catalog Number:
AG001PXD
Chemical Name:
4-Pyridinecarbonitrile, 2-(1H-imidazol-1-yl)-
CAS Number:
158020-84-9
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD09929166
IUPAC Name:
2-imidazol-1-ylpyridine-4-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H
InChI Key:
CMVWKPYQUABASZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)n1cncc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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