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Home > Nitro Compounds > 1030389-87-7
1030389-87-7 | 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS No: 1030389-87-7 Catalog No: AG01EQML MDL No:
Product Description
Catalog Number:
AG01EQML
Chemical Name:
1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS Number:
1030389-87-7
Molecular Formula:
C15H16N3O3+
Molecular Weight:
286.3058
IUPAC Name:
N-(2-methyl-4-nitrophenyl)-2-pyridin-1-ium-1-ylpropanamide
InChI:
InChI=1S/C15H15N3O3/c1-11-10-13(18(20)21)6-7-14(11)16-15(19)12(2)17-8-4-3-5-9-17/h3-10,12H,1-2H3/p+1
InChI Key:
WEHKSNKZHKAZLR-UHFFFAOYSA-O
SMILES:
O=C(C([n+]1ccccc1)C)Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.119g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.311g/mol
Monoisotopic Mass:
286.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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