Methyl 5-Bromo-2-oxopentanoate - CAS 57224-29-0
Catalog: |
BB065839 |
Product Name: |
Methyl 5-Bromo-2-oxopentanoate |
CAS: |
57224-29-0 |
Synonyms: |
ETHYL 5-BROMO-2-OXOPENTANOATE; Pentanoic acid, 5-bromo-2-oxo-, ethyl ester |
IUPAC Name: | ethyl 5-bromo-2-oxopentanoate |
Molecular Weight: | 223.06 |
Molecular Formula: | C7H11BrO3 |
Canonical SMILES: | CCOC(=O)C(=O)CCCBr |
InChI: | InChI=1S/C7H11BrO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5H2,1H3 |
InChI Key: | HQWSVSBJKIJDTK-UHFFFAOYSA-N |
Appearance: | liquid |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.98916 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.98916 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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