| CAS Number | 1690315-37-7 |
| Catalog Number | AG019EQI |
| Chemical Name | 2,4,6-tris(2-bromophenyl)-1,3,5-triazine |
| IUPAC Name | 2,4,6-tris(2-bromophenyl)-1,3,5-triazine |
| InChI | InChI=1S/C21H12Br3N3/c22-16-10-4-1-7-13(16)19-25-20(14-8-2-5-11-17(14)23)27-21(26-19)15-9-3-6-12-18(15)24/h1-12H |
| InChI Key | CTURUJRMTZHZGM-UHFFFAOYSA-N |
| MDL Number | MFCD28964711 |
| Molecular Formula | C21H12Br3N3 |
| Molecular Weight | 546.0521 |
| SMILES | BrC1=C(C=CC=C1)C1=NC(=NC(=N1)C1=C(C=CC=C1)Br)C1=C(C=CC=C1)Br |
| Synonyms | 2,4,6-Tris(2-bromophenyl)-1,3,5-triazine,
1690315-37-7,
SCHEMBL18015638,
CS-0060472,
2,4,6-tris(2-Cromophenyl)-1,3,5-triazine,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.856g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.06g/mol |
| Monoisotopic Mass | 542.858g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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Certificate of Analysis
Lot Number