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Home > Nitro Compounds > 1030389-81-1
1030389-81-1 | 1-[(4-Methyl-3-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS No: 1030389-81-1 Catalog No: AG01EQMJ MDL No:
Product Description
Catalog Number:
AG01EQMJ
Chemical Name:
1-[(4-Methyl-3-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS Number:
1030389-81-1
Molecular Formula:
C14H14N3O3+
Molecular Weight:
272.2793
IUPAC Name:
N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
InChI:
InChI=1S/C14H13N3O3/c1-11-5-6-12(9-13(11)17(19)20)15-14(18)10-16-7-3-2-4-8-16/h2-9H,10H2,1H3/p+1
InChI Key:
KNNQMVLHSGWILU-UHFFFAOYSA-O
SMILES:
O=C(C[n+]1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
350
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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