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Home > Nitro Compounds > 89069-73-8
89069-73-8 | 4(3H)-Pyrimidinone, 3-(4-nitrophenyl)-2-phenyl-
CAS No: 89069-73-8 Catalog No: AG0040YP MDL No:
Product Description
Catalog Number:
AG0040YP
Chemical Name:
4(3H)-Pyrimidinone, 3-(4-nitrophenyl)-2-phenyl-
CAS Number:
89069-73-8
Molecular Formula:
C16H11N3O3
Molecular Weight:
293.2768
IUPAC Name:
3-(4-nitrophenyl)-2-phenylpyrimidin-4-one
InChI:
InChI=1S/C16H11N3O3/c20-15-10-11-17-16(12-4-2-1-3-5-12)18(15)13-6-8-14(9-7-13)19(21)22/h1-11H
InChI Key:
MKRWTXAKKZDJMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1c(=O)ccnc1c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.282g/mol
Monoisotopic Mass:
293.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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