| CAS Number | 1536209-87-6 |
| Catalog Number | AG019EU5(AGN-PC-0WCY0D) |
| Chemical Name | 4-(3-Chlorophenyl)-2,6-Diphenylpyrimidine |
| IUPAC Name | 4-(3-chlorophenyl)-2,6-diphenylpyrimidine |
| InChI | InChI=1S/C22H15ClN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H |
| InChI Key | FDTRHTNHPKRWFG-UHFFFAOYSA-N |
| MDL Number | MFCD29477687 |
| Molecular Formula | C22H15ClN2 |
| Molecular Weight | 342.8209 |
| SMILES | ClC1=CC(C2=NC(C3=CC=CC=C3)=NC(C4=CC=CC=C4)=C2)=CC=C1 |
| Synonyms | 4-(3-Chlorophenyl)-2,6-diphenylpyrimidine,
1536209-87-6,
SCHEMBL16672414,
MFCD29477687,
AKOS026673982,
CS-0061690,
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| Complexity | 403 |
| 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