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Home > Nitro Compounds > 74197-40-3
74197-40-3 | 4(1H)-Pyridinone, 3,5-dinitro-1-(4-nitrophenyl)-
CAS No: 74197-40-3 Catalog No: AG005NHA MDL No:
Product Description
Catalog Number:
AG005NHA
Chemical Name:
4(1H)-Pyridinone, 3,5-dinitro-1-(4-nitrophenyl)-
CAS Number:
74197-40-3
Molecular Formula:
C11H6N4O7
Molecular Weight:
306.1879
IUPAC Name:
3,5-dinitro-1-(4-nitrophenyl)pyridin-4-one
InChI:
InChI=1S/C11H6N4O7/c16-11-9(14(19)20)5-12(6-10(11)15(21)22)7-1-3-8(4-2-7)13(17)18/h1-6H
InChI Key:
HTAYVAFRCDMVNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1cc([N+](=O)[O-])c(=O)c(c1)[N+](=O)[O-]
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.19g/mol
Monoisotopic Mass:
306.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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