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Home > Nitro Compounds > 89862-10-2
89862-10-2 | 2-Propenamide, 3-(6-methyl-5-nitro-2-pyridinyl)-N-(2-methylphenyl)-
CAS No: 89862-10-2 Catalog No: AG003WQO MDL No:
Product Description
Catalog Number:
AG003WQO
Chemical Name:
2-Propenamide, 3-(6-methyl-5-nitro-2-pyridinyl)-N-(2-methylphenyl)-
CAS Number:
89862-10-2
Molecular Formula:
C16H15N3O3
Molecular Weight:
297.3086
IUPAC Name:
3-(6-methyl-5-nitropyridin-2-yl)-N-(2-methylphenyl)prop-2-enamide
InChI:
InChI=1S/C16H15N3O3/c1-11-5-3-4-6-14(11)18-16(20)10-8-13-7-9-15(19(21)22)12(2)17-13/h3-10H,1-2H3,(H,18,20)
InChI Key:
LXDKSQUMHFPEBX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C)C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.314g/mol
Monoisotopic Mass:
297.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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