1,6-Dibromo-2,5-hexanedione - CAS 289633-12-1
Catalog: |
BB066383 |
Product Name: |
1,6-Dibromo-2,5-hexanedione |
CAS: |
289633-12-1 |
Synonyms: |
1,6-Dibromohexane-2,5-dione |
IUPAC Name: | 1,6-dibromohexane-2,5-dione |
Description: | 1,6-Dibromo-2,5-hexanedione is highly potent and selective activator for isoenzymes VA and VII of carbonic anhydrase. |
Molecular Weight: | 271.93 |
Molecular Formula: | C6H8Br2O2 |
Canonical SMILES: | C(CC(=O)CBr)C(=O)CBr |
InChI: | InChI=1S/C6H8Br2O2/c7-3-5(9)1-2-6(10)4-8/h1-4H2 |
InChI Key: | FBCJIELYNSWMET-UHFFFAOYSA-N |
References: | Draghici, B., et al. Chem. Commun. (Camb). 50, 5980 (2014). |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.88706 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.8891 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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