1-Bromo-4-phenyl-3-buten-2-one - CAS 22422-16-8
Catalog: |
BB017597 |
Product Name: |
1-Bromo-4-phenyl-3-buten-2-one |
CAS: |
22422-16-8 |
Synonyms: |
(E)-1-bromo-4-phenyl-3-buten-2-one; (E)-1-bromo-4-phenylbut-3-en-2-one |
IUPAC Name: | 1-bromo-4-phenylbut-3-en-2-one |
Description: | 1-Bromo-4-phenyl-3-buten-2-one (CAS# 22422-16-8 ) is a useful research chemical. |
Molecular Weight: | 225.08 |
Molecular Formula: | C10H9BrO |
Canonical SMILES: | C1=CC=C(C=C1)C=CC(=O)CBr |
InChI: | InChI=1S/C10H9BrO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+ |
InChI Key: | LDEBGMOZLPUFEE-VOTSOKGWSA-N |
Publication Number | Title | Priority Date |
CN-102617419-B | One-pot synthesis method of conjugate eneyne thioether | 20120305 |
AU-2005226786-A1 | Novel cyclopentenedione antifungal compounds and methods for their use | 20040329 |
CA-2560931-A1 | Novel cyclopentenedione antifungal compounds and methods for their use | 20040329 |
EP-1730095-A2 | Novel cyclopentenedione antifungal compounds and methods for their use | 20040329 |
JP-2007530700-A | Novel cyclopentenedione antifungal compounds and methods of use thereof | 20040329 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.98368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.9 |
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