Ethyl 3-Bromobutyrate - CAS 7425-49-2
Catalog: |
BB035035 |
Product Name: |
Ethyl 3-Bromobutyrate |
CAS: |
7425-49-2 |
Synonyms: |
3-bromobutanoic acid ethyl ester; ethyl 3-bromobutanoate |
IUPAC Name: | ethyl 3-bromobutanoate |
Description: | Ethyl 3-Bromobutyrate (CAS# 7425-49-2 ) is a useful research chemical. |
Molecular Weight: | 195.05 |
Molecular Formula: | C6H11BrO2 |
Canonical SMILES: | CCOC(=O)CC(C)Br |
InChI: | InChI=1S/C6H11BrO2/c1-3-9-6(8)4-5(2)7/h5H,3-4H2,1-2H3 |
InChI Key: | OPXQLUFLTHEZST-UHFFFAOYSA-N |
Boiling Point: | 183 °C / 184 |
Density: | 1.348 g/cm3 |
LogP: | 1.72300 |
Publication Number | Title | Priority Date |
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Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99424 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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