2-(4-Bromobutoxy)tetrahydro-2H-pyran - CAS 31608-22-7
Catalog: |
BB020998 |
Product Name: |
2-(4-Bromobutoxy)tetrahydro-2H-pyran |
CAS: |
31608-22-7 |
Synonyms: |
2-(4-bromobutoxy)oxane; 2-(4-bromobutoxy)oxane |
IUPAC Name: | 2-(4-bromobutoxy)oxane |
Description: | 2-(4-Bromobutoxy)tetrahydro-2H-pyran (CAS# 31608-22-7) is a useful research chemical. |
Molecular Weight: | 237.13 |
Molecular Formula: | C9H17BrO2 |
Canonical SMILES: | C1CCOC(C1)OCCCCBr |
InChI: | InChI=1S/C9H17BrO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2 |
InChI Key: | DFXFQWZHKKEJDM-UHFFFAOYSA-N |
Boiling Point: | 284.9 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 2.70470 |
Publication Number | Title | Priority Date |
CN-112552293-A | PROTAC small molecular compound and application thereof | 20190925 |
WO-2021057872-A1 | Protac small molecule compound and application thereof | 20190925 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
WO-2019133531-A1 | Irak degraders and uses thereof | 20171226 |
Complexity: | 109 |
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: | 5 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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