BODIPY-581/591 NHS ester

Chemical Information
| CAS Number | 150152-70-8 |
| PubChem CID | 131954337 |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate |
| Molecular Formula | C26H22BF2N3O4 |
| Molecular Weight | 489.3 |
| Topological Polar Surface Area | 71.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Property | Value |
|---|---|
| Molecular Weight | 489.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 489.1671427 |
| Monoisotopic Mass | 489.1671427 |
| Topological Polar Surface Area | 71.6 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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