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Home > Nitro Compounds > 88317-18-4
88317-18-4 | 4(1H)-Pyrimidinone, 1-(4-nitrophenyl)-2,5,6-triphenyl-
CAS No: 88317-18-4 Catalog No: AG0048H2 MDL No:
Product Description
Catalog Number:
AG0048H2
Chemical Name:
4(1H)-Pyrimidinone, 1-(4-nitrophenyl)-2,5,6-triphenyl-
CAS Number:
88317-18-4
Molecular Formula:
C28H19N3O3
Molecular Weight:
445.4688
IUPAC Name:
1-(4-nitrophenyl)-2,5,6-triphenylpyrimidin-4-one
InChI:
InChI=1S/C28H19N3O3/c32-28-25(20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)30(23-16-18-24(19-17-23)31(33)34)27(29-28)22-14-8-3-9-15-22/h1-19H
InChI Key:
LHAWFYPFHNDKGP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1c(nc(=O)c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.143g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.478g/mol
Monoisotopic Mass:
445.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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