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26031-71-0 | Pyridinium, 1-[2-(3-nitrophenyl)-2-oxoethyl]-, bromide (1:1)
CAS No: 26031-71-0 Catalog No: AG002RFW MDL No:
Product Description
Catalog Number:
AG002RFW
Chemical Name:
Pyridinium, 1-[2-(3-nitrophenyl)-2-oxoethyl]-, bromide (1:1)
CAS Number:
26031-71-0
Molecular Formula:
C13H11BrN2O3
Molecular Weight:
323.1420
IUPAC Name:
1-(3-nitrophenyl)-2-pyridin-1-ium-1-ylethanone;bromide
InChI:
InChI=1S/C13H11N2O3.BrH/c16-13(10-14-7-2-1-3-8-14)11-5-4-6-12(9-11)15(17)18;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
LIPQELPWNUWZSC-UHFFFAOYSA-M
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1ccccc1.[Br-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.146g/mol
Monoisotopic Mass:
321.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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