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Home > Nitro Compounds > 744266-00-0
744266-00-0 | 2-Methyl-1-[2-(4-nitro-phenyl)-2-oxo-ethyl]-pyridinium
CAS No: 744266-00-0 Catalog No: AG01EX9H MDL No:
Product Description
Catalog Number:
AG01EX9H
Chemical Name:
2-Methyl-1-[2-(4-nitro-phenyl)-2-oxo-ethyl]-pyridinium
CAS Number:
744266-00-0
Molecular Formula:
C14H13N2O3+
Molecular Weight:
257.2646
IUPAC Name:
2-(2-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C14H13N2O3/c1-11-4-2-3-9-15(11)10-14(17)12-5-7-13(8-6-12)16(18)19/h2-9H,10H2,1H3/q+1
InChI Key:
XZLCGZQAIWSVJK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccccc1C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.269g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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