2-Bromo-1-(tetrahydropyran-4-yl)ethanone - CAS 141095-78-5
Catalog: |
BB009153 |
Product Name: |
2-Bromo-1-(tetrahydropyran-4-yl)ethanone |
CAS: |
141095-78-5 |
Synonyms: |
2-bromo-1-(4-oxanyl)ethanone; 2-bromo-1-(oxan-4-yl)ethanone |
IUPAC Name: | 2-bromo-1-(oxan-4-yl)ethanone |
Description: | 2-Bromo-1-(tetrahydropyran-4-yl)ethanone (CAS# 141095-78-5) is a useful research chemical. |
Molecular Weight: | 207.07 |
Molecular Formula: | C7H11BrO2 |
Canonical SMILES: | C1COCCC1C(=O)CBr |
InChI: | InChI=1S/C7H11BrO2/c8-5-7(9)6-1-3-10-4-2-6/h6H,1-5H2 |
InChI Key: | HYZSWXALTGLKSD-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.37700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111269215-A | Nitrogen-containing heterocyclic organic compound and preparation method and application thereof | 20200401 |
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Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.99424 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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