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Home > Imidazoles > 103091-51-6
103091-51-6 | (5-methyl-2-phenyl-1h-imidazol-4-yl)acetonitrile methanesulfonate(1:1)
CAS No: 103091-51-6 Catalog No: AG007Y69 MDL No:
Product Description
Catalog Number:
AG007Y69
Chemical Name:
(5-methyl-2-phenyl-1h-imidazol-4-yl)acetonitrile methanesulfonate(1:1)
CAS Number:
103091-51-6
Molecular Formula:
C13H15N3O3S
Molecular Weight:
293.3415
IUPAC Name:
methanesulfonic acid;2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
InChI:
InChI=1S/C12H11N3.CH4O3S/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;1-5(2,3)4/h2-6H,7H2,1H3,(H,14,15);1H3,(H,2,3,4)
InChI Key:
JHJUWPIKMRPGFU-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.N#CCc1nc([nH]c1C)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.341g/mol
Monoisotopic Mass:
293.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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