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Home > Nitro Compounds > 89862-13-5
89862-13-5 | 2-Propenamide, 3-(6-methyl-5-nitro-2-pyridinyl)-N-(4-nitrophenyl)-
CAS No: 89862-13-5 Catalog No: AG003X1S MDL No:
Product Description
Catalog Number:
AG003X1S
Chemical Name:
2-Propenamide, 3-(6-methyl-5-nitro-2-pyridinyl)-N-(4-nitrophenyl)-
CAS Number:
89862-13-5
Molecular Formula:
C15H12N4O5
Molecular Weight:
328.2796
IUPAC Name:
3-(6-methyl-5-nitropyridin-2-yl)-N-(4-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C15H12N4O5/c1-10-14(19(23)24)8-4-11(16-10)5-9-15(20)17-12-2-6-13(7-3-12)18(21)22/h2-9H,1H3,(H,17,20)
InChI Key:
MLBZWVNWMRQORW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.284g/mol
Monoisotopic Mass:
328.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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