1-Bromo-4-methyl-3-penten-2-one - CAS 49566-72-5
Catalog: |
BB026734 |
Product Name: |
1-Bromo-4-methyl-3-penten-2-one |
CAS: |
49566-72-5 |
Synonyms: |
1-bromo-4-methyl-3-penten-2-one; 1-bromo-4-methylpent-3-en-2-one |
IUPAC Name: | 1-bromo-4-methylpent-3-en-2-one |
Description: | 1-Bromo-4-methyl-3-penten-2-one (CAS# 49566-72-5 ) is a useful research chemical. |
Molecular Weight: | 177.04 |
Molecular Formula: | C6H9BrO |
Canonical SMILES: | CC(=CC(=O)CBr)C |
InChI: | InChI=1S/C6H9BrO/c1-5(2)3-6(8)4-7/h3H,4H2,1-2H3 |
InChI Key: | ZDGHPWNIHFBZIE-UHFFFAOYSA-N |
LogP: | 1.91660 |
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Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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