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Home > Nitro Compounds > 89862-02-2
89862-02-2 | 2-Propenamide, N-butyl-3-(6-methyl-5-nitro-2-pyridinyl)-
CAS No: 89862-02-2 Catalog No: AG003X1V MDL No:
Product Description
Catalog Number:
AG003X1V
Chemical Name:
2-Propenamide, N-butyl-3-(6-methyl-5-nitro-2-pyridinyl)-
CAS Number:
89862-02-2
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
N-butyl-3-(6-methyl-5-nitropyridin-2-yl)prop-2-enamide
InChI:
InChI=1S/C13H17N3O3/c1-3-4-9-14-13(17)8-6-11-5-7-12(16(18)19)10(2)15-11/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChI Key:
RHTCJHUUKQXIHK-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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