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16844-13-6 | Pyridinium, 4-ethyl-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS No: 16844-13-6 Catalog No: AG001Y2Z MDL No:
Product Description
Catalog Number:
AG001Y2Z
Chemical Name:
Pyridinium, 4-ethyl-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS Number:
16844-13-6
Molecular Formula:
C15H16BrNO
Molecular Weight:
306.1976
IUPAC Name:
2-(4-ethylpyridin-1-ium-1-yl)-1-phenylethanone;bromide
InChI:
InChI=1S/C15H16NO.BrH/c1-2-13-8-10-16(11-9-13)12-15(17)14-6-4-3-5-7-14;/h3-11H,2,12H2,1H3;1H/q+1;/p-1
InChI Key:
SFLDXMZLXCVULU-UHFFFAOYSA-M
SMILES:
CCc1cc[n+](cc1)CC(=O)c1ccccc1.[Br-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.203g/mol
Monoisotopic Mass:
305.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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