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114309-58-9 | Pyridinium, 2-chloro-1-dodecyl-, iodide (1:1)
CAS No: 114309-58-9 Catalog No: AG000B1A MDL No:
Product Description
Catalog Number:
AG000B1A
Chemical Name:
Pyridinium, 2-chloro-1-dodecyl-, iodide (1:1)
CAS Number:
114309-58-9
Molecular Formula:
C17H29ClIN
Molecular Weight:
409.7763
IUPAC Name:
2-chloro-1-dodecylpyridin-1-ium;iodide
InChI:
InChI=1S/C17H29ClN.HI/c1-2-3-4-5-6-7-8-9-10-12-15-19-16-13-11-14-17(19)18;/h11,13-14,16H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChI Key:
WAMCKCZLKMWEHV-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccccc1Cl.[I-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.78g/mol
Monoisotopic Mass:
409.103g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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