| CAS Number | 457613-56-8 |
| Catalog Number | AG01DFCV(AGN-PC-0JTQO4) |
| Chemical Name | 2-(4-Bromophenyl)-4,6-Diphenylpyrimidine |
| IUPAC Name | 2-(4-bromophenyl)-4,6-diphenylpyrimidine |
| InChI | InChI=1S/C22H15BrN2/c23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17/h1-15H |
| InChI Key | QLYUAISAKGDXCW-UHFFFAOYSA-N |
| MDL Number | MFCD29477690 |
| Molecular Formula | C22H15BrN2 |
| Molecular Weight | 387.2719 |
| SMILES | Brc1ccc(cc1)c1nc(cc(n1)c1ccccc1)c1ccccc1 |
| Synonyms | 2-(4-Bromophenyl)-4,6-diphenylpyrimidine,
457613-56-8,
QLYUAISAKGDXCW-UHFFFAOYSA-N,
4,6-Diphenyl-2-(4-bromophenyl)pyrimidine,
AC1LD02O,
SCHEMBL12858675,
2-(4-Bromophenyl)-4,6-diphenylpyrimidine #,
CID609721,
4-(4-bromophenyl)-2,6-diphenylpyrimidine,
58536-46-2,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.28g/mol |
| Monoisotopic Mass | 386.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
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Certificate of Analysis
Lot Number