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Home > Imidazoles > 94448-88-1
94448-88-1 | 2-(1H-Imidazol-1-yl);nicotinonitrile
CAS No: 94448-88-1 Catalog No: AG003EPB MDL No:MFCD09863416
Product Description
Catalog Number:
AG003EPB
Chemical Name:
2-(1H-Imidazol-1-yl);nicotinonitrile
CAS Number:
94448-88-1
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD09863416
IUPAC Name:
2-imidazol-1-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-6-8-2-1-3-12-9(8)13-5-4-11-7-13/h1-5,7H
InChI Key:
WTCYHIRTEOPQOQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1n1cncc1
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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