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88317-22-0

88317-22-0 | 4(1H)-Pyrimidinone, 2-(4-chlorophenyl)-1,5,6-triphenyl-

CAS No: 88317-22-0 Catalog No: AG0048H1 MDL No:

Product Description

Catalog Number:
AG0048H1
Chemical Name:
4(1H)-Pyrimidinone, 2-(4-chlorophenyl)-1,5,6-triphenyl-
CAS Number:
88317-22-0
Molecular Formula:
C28H19ClN2O
Molecular Weight:
434.9163
IUPAC Name:
2-(4-chlorophenyl)-1,5,6-triphenylpyrimidin-4-one
InChI:
InChI=1S/C28H19ClN2O/c29-23-18-16-22(17-19-23)27-30-28(32)25(20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)31(27)24-14-8-3-9-15-24/h1-19H
InChI Key:
GZNBSYPCRWTHGR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(=O)c(c(n1c1ccccc1)c1ccccc1)c1ccccc1

Properties

Complexity:
718  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.119g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.923g/mol
Monoisotopic Mass:
434.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

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