| CAS Number | 1639895-85-4 |
| Catalog Number | AG01EO4Z(AGN-PC-0WNHD8) |
| Chemical Name | tBID |
| IUPAC Name | 4,5,6,7-tetrabromo-2-(1H-imidazol-2-yl)isoindole-1,3-dione |
| InChI | InChI=1S/C11H3Br4N3O2/c12-5-3-4(6(13)8(15)7(5)14)10(20)18(9(3)19)11-16-1-2-17-11/h1-2H,(H,16,17) |
| InChI Key | ZQXVUBDNHQEMGO-UHFFFAOYSA-N |
| MDL Number | MFCD31382119 |
| Molecular Formula | C11H3Br4N3O2 |
| Molecular Weight | 528.7764 |
| SMILES | C1(Br)C(Br)=C2C(=O)N(C3=NC=CN3)C(=O)C2=C(Br)C=1Br |
| Synonyms | tBID,
1639895-85-4,
ZINC616582682,
CS-6410,
HY-100464,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.692g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.78g/mol |
| Monoisotopic Mass | 524.696g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number