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Home > Nitro Compounds > 1030389-07-1
1030389-07-1 | 3-Methyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS No: 1030389-07-1 Catalog No: AG01F7EA MDL No:
Product Description
Catalog Number:
AG01F7EA
Chemical Name:
3-Methyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium
CAS Number:
1030389-07-1
Molecular Formula:
C14H14N3O3+
Molecular Weight:
272.2793
IUPAC Name:
2-(3-methylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C14H13N3O3/c1-11-4-3-7-16(9-11)10-14(18)15-12-5-2-6-13(8-12)17(19)20/h2-9H,10H2,1H3/p+1
InChI Key:
PVZCMJRZQDPELP-UHFFFAOYSA-O
SMILES:
O=C(C[n+]1cccc(c1)C)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
356
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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