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26535-84-2 | Pyridinium, 3-(ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS No: 26535-84-2 Catalog No: AG002TLV MDL No:
Product Description
Catalog Number:
AG002TLV
Chemical Name:
Pyridinium, 3-(ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS Number:
26535-84-2
Molecular Formula:
C16H16BrNO3
Molecular Weight:
350.2071
IUPAC Name:
ethyl 1-phenacylpyridin-1-ium-3-carboxylate;bromide
InChI:
InChI=1S/C16H16NO3.BrH/c1-2-20-16(19)14-9-6-10-17(11-14)12-15(18)13-7-4-3-5-8-13;/h3-11H,2,12H2,1H3;1H/q+1;/p-1
InChI Key:
RLFLGSAWRHTIPT-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1ccc[n+](c1)CC(=O)c1ccccc1.[Br-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.212g/mol
Monoisotopic Mass:
349.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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