2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane - CAS 87842-52-2
Catalog: |
BB038658 |
Product Name: |
2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane |
CAS: |
87842-52-2 |
Synonyms: |
2-(2-bromoethyl)-2,5,5-trimethyl-1,3-dioxane |
IUPAC Name: | 2-(2-bromoethyl)-2,5,5-trimethyl-1,3-dioxane |
Description: | 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane (CAS# 87842-52-2 ) is a useful research chemical. |
Molecular Weight: | 237.13 |
Molecular Formula: | C9H17BrO2 |
Canonical SMILES: | CC1(COC(OC1)(C)CCBr)C |
InChI: | InChI=1S/C9H17BrO2/c1-8(2)6-11-9(3,4-5-10)12-7-8/h4-7H2,1-3H3 |
InChI Key: | HSWLDQSQVWEZIG-UHFFFAOYSA-N |
Boiling Point: | 72-73 °C / 0.6 mmHg (lit.) |
Density: | 1.26 g/mL at 25 °C(lit.) |
MDL: | MFCD00075491 |
LogP: | 2.56060 |
Publication Number | Title | Priority Date |
DK-2408775-T3 | Oxidized derivatives of triazolylpuriner useful as ligands of the adenosine A 2A receptor, and their use as medicaments | 20090320 |
EP-2408775-A1 | Oxidated derivatives of triazolypurines useful as ligands of the adenosine a2a receptor and their use as medicaments | 20090320 |
EP-2408775-B1 | Oxidated derivatives of triazolylpurines useful as ligands of the adenosine a2a receptor and their use as medicaments | 20090320 |
ES-2542555-T3 | Oxidized triazolylpurine derivatives useful as adenosine A2A receptor ligands and their use as medicines | 20090320 |
HU-E025704-T2 | Oxidated derivatives of triazolylpurines useful as ligands of the adenosine a2a receptor and their use as medicaments | 20090320 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.04119 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.04119 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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