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80039-83-4 | Pyridinium, 1-docosyl-, bromide
CAS No: 80039-83-4 Catalog No: AG0055G4 MDL No:
Product Description
Catalog Number:
AG0055G4
Chemical Name:
Pyridinium, 1-docosyl-, bromide
CAS Number:
80039-83-4
Molecular Formula:
C27H50BrN
Molecular Weight:
468.5966
IUPAC Name:
1-docosylpyridin-1-ium;bromide
InChI:
InChI=1S/C27H50N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28;/h21,23-24,26-27H,2-20,22,25H2,1H3;1H/q+1;/p-1
InChI Key:
JFRURXLJEYJAJT-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.313g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.608g/mol
Monoisotopic Mass:
467.313g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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