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82746-43-8 | Pyridinium, 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-, bromide
CAS No: 82746-43-8 Catalog No: AG004UU7 MDL No:
Product Description
Catalog Number:
AG004UU7
Chemical Name:
Pyridinium, 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-, bromide
CAS Number:
82746-43-8
Molecular Formula:
C14H13BrClNO
Molecular Weight:
326.6161
IUPAC Name:
1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;bromide
InChI:
InChI=1S/C14H13ClNO.BrH/c1-11-4-2-3-9-16(11)10-14(17)12-5-7-13(15)8-6-12;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
XOQIPRYDBXLZKQ-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)C(=O)C[n+]1ccccc1C.[Br-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.618g/mol
Monoisotopic Mass:
324.987g/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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