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111305-13-6 | Pyridinium, 1-pentyl-4-phenyl-, iodide
CAS No: 111305-13-6 Catalog No: AG007AYK MDL No:
Product Description
Catalog Number:
AG007AYK
Chemical Name:
Pyridinium, 1-pentyl-4-phenyl-, iodide
CAS Number:
111305-13-6
Molecular Formula:
C16H20IN
Molecular Weight:
353.2412
IUPAC Name:
1-pentyl-4-phenylpyridin-1-ium;iodide
InChI:
InChI=1S/C16H20N.HI/c1-2-3-7-12-17-13-10-16(11-14-17)15-8-5-4-6-9-15;/h4-6,8-11,13-14H,2-3,7,12H2,1H3;1H/q+1;/p-1
InChI Key:
UUKVIDVEOJYEHX-UHFFFAOYSA-M
SMILES:
CCCCC[n+]1ccc(cc1)c1ccccc1.[I-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.247g/mol
Monoisotopic Mass:
353.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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