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82746-46-1 | Pyridinium, 1-[2-(3-methoxyphenyl)-2-oxoethyl]-2-methyl-, bromide
CAS No: 82746-46-1 Catalog No: AG004ZOW MDL No:
Product Description
Catalog Number:
AG004ZOW
Chemical Name:
Pyridinium, 1-[2-(3-methoxyphenyl)-2-oxoethyl]-2-methyl-, bromide
CAS Number:
82746-46-1
Molecular Formula:
C15H16BrNO2
Molecular Weight:
322.1970
IUPAC Name:
1-(3-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;bromide
InChI:
InChI=1S/C15H16NO2.BrH/c1-12-6-3-4-9-16(12)11-15(17)13-7-5-8-14(10-13)18-2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
FCWZWOKGLLHEKJ-UHFFFAOYSA-M
SMILES:
COc1cccc(c1)C(=O)C[n+]1ccccc1C.[Br-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.202g/mol
Monoisotopic Mass:
321.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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