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26863-24-1 | 1-(2-Hydroxyethyl)-4-phenylpyridin-1-ium bromide
CAS No: 26863-24-1 Catalog No: AG01EUNC MDL No:
Product Description
Catalog Number:
AG01EUNC
Chemical Name:
1-(2-Hydroxyethyl)-4-phenylpyridin-1-ium bromide
CAS Number:
26863-24-1
Molecular Formula:
C13H14BrNO
Molecular Weight:
280.1604
IUPAC Name:
2-(4-phenylpyridin-1-ium-1-yl)ethanol;bromide
InChI:
InChI=1S/C13H14NO.BrH/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9,15H,10-11H2;1H/q+1;/p-1
InChI Key:
WJGDFTCVMHBIIC-UHFFFAOYSA-M
SMILES:
OCC[n+]1ccc(cc1)c1ccccc1.[Br-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.165g/mol
Monoisotopic Mass:
279.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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