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Home > Nitro Compounds > 722453-19-2
722453-19-2 | 3-Methyl-1-[1-(4-methyl-3-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS No: 722453-19-2 Catalog No: AG01EX3G MDL No:
Product Description
Catalog Number:
AG01EX3G
Chemical Name:
3-Methyl-1-[1-(4-methyl-3-nitro-phenylcarbamoyl)-ethyl]-pyridinium
CAS Number:
722453-19-2
Molecular Formula:
C16H18N3O3+
Molecular Weight:
300.3324
IUPAC Name:
N-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide
InChI:
InChI=1S/C16H17N3O3/c1-11-5-4-8-18(10-11)13(3)16(20)17-14-7-6-12(2)15(9-14)19(21)22/h4-10,13H,1-3H3/p+1
InChI Key:
CREFLBNPVMTLHX-UHFFFAOYSA-O
SMILES:
Cc1ccc[n+](c1)C(C(=O)Nc1ccc(c(c1)[N+](=O)[O-])C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.135g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.338g/mol
Monoisotopic Mass:
300.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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