| CAS Number | 919301-53-4 |
| Catalog Number | AG006767(AGN-PC-0JEERN) |
| Chemical Name | 4-(4-Chlorophenyl)-2,6-diphenylpyrimidine |
| IUPAC Name | 4-(4-chlorophenyl)-2,6-diphenylpyrimidine |
| InChI | InChI=1S/C22H15ClN2/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18/h1-15H |
| InChI Key | AJSOWJLBAVMDJX-UHFFFAOYSA-N |
| MDL Number | MFCD29477692 |
| Molecular Formula | C22H15ClN2 |
| Molecular Weight | 342.8209 |
| SMILES | ClC1=CC=C(C2=NC(C3=CC=CC=C3)=NC(C4=CC=CC=C4)=C2)C=C1 |
| Synonyms | 4-(4-Chlorophenyl)-2,6-diphenylpyrimidine,
919301-53-4,
Pyrimidine, 4-(4-chlorophenyl)-2,6-diphenyl-,
SCHEMBL16716532,
CTK3H3702,
KS-00000TCC,
DTXSID60844008,
MFCD29477692,
ZINC90487130,
AKOS026673988,
DS-9929,
AK198776,
2,4-Diphenyl-6-(4-chlorophenyl)pyrimidine,
CS-0059955,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.826g/mol |
| Monoisotopic Mass | 342.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
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Certificate of Analysis
Lot Number