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Home > Imidazoles > 824431-77-8
824431-77-8 | 1H-Imidazole-1-acetonitrile, 2-methyl-4-[(2-methyl-4-pyridinyl)ethynyl]-
CAS No: 824431-77-8 Catalog No: AG004VZR MDL No:
Product Description
Catalog Number:
AG004VZR
Chemical Name:
1H-Imidazole-1-acetonitrile, 2-methyl-4-[(2-methyl-4-pyridinyl)ethynyl]-
CAS Number:
824431-77-8
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
2-[2-methyl-4-[2-(2-methylpyridin-4-yl)ethynyl]imidazol-1-yl]acetonitrile
InChI:
InChI=1S/C14H12N4/c1-11-9-13(5-7-16-11)3-4-14-10-18(8-6-15)12(2)17-14/h5,7,9-10H,8H2,1-2H3
InChI Key:
RIUVSYCWEMTNRU-UHFFFAOYSA-N
SMILES:
N#CCn1cc(nc1C)C#Cc1ccnc(c1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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