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116286-77-2 | Pyridinium, 1-butyl-2-phenyl-, iodide (1:1)
CAS No: 116286-77-2 Catalog No: AG000C3Y MDL No:
Product Description
Catalog Number:
AG000C3Y
Chemical Name:
Pyridinium, 1-butyl-2-phenyl-, iodide (1:1)
CAS Number:
116286-77-2
Molecular Formula:
C15H18IN
Molecular Weight:
339.2146
IUPAC Name:
1-butyl-2-phenylpyridin-1-ium;iodide
InChI:
InChI=1S/C15H18N.HI/c1-2-3-12-16-13-8-7-11-15(16)14-9-5-4-6-10-14;/h4-11,13H,2-3,12H2,1H3;1H/q+1;/p-1
InChI Key:
VFFVKDVUBDDHHS-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccccc1c1ccccc1.[I-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.22g/mol
Monoisotopic Mass:
339.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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