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16844-10-3 | Pyridinium, 3-methyl-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS No: 16844-10-3 Catalog No: AG001Y30 MDL No:
Product Description
Catalog Number:
AG001Y30
Chemical Name:
Pyridinium, 3-methyl-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS Number:
16844-10-3
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
2-(3-methylpyridin-1-ium-1-yl)-1-phenylethanone;bromide
InChI:
InChI=1S/C14H14NO.BrH/c1-12-6-5-9-15(10-12)11-14(16)13-7-3-2-4-8-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
FYQZEXKCSQRJAV-UHFFFAOYSA-M
SMILES:
Cc1ccc[n+](c1)CC(=O)c1ccccc1.[Br-]
NSC Number:
118799
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.176g/mol
Monoisotopic Mass:
291.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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