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Home > Nitro Compounds > 1030620-90-6
1030620-90-6 | 2-Methyl-1-[(4-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS No: 1030620-90-6 Catalog No: AG01F7ED MDL No:
Product Description
Catalog Number:
AG01F7ED
Chemical Name:
2-Methyl-1-[(4-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS Number:
1030620-90-6
Molecular Formula:
C14H14N3O3+
Molecular Weight:
272.2793
IUPAC Name:
2-(2-methylpyridin-1-ium-1-yl)-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C14H13N3O3/c1-11-4-2-3-9-16(11)10-14(18)15-12-5-7-13(8-6-12)17(19)20/h2-9H,10H2,1H3/p+1
InChI Key:
QKLZQRLOTAGDEP-UHFFFAOYSA-O
SMILES:
O=C(C[n+]1ccccc1C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.104g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.284g/mol
Monoisotopic Mass:
272.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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