2-Fluoro-3-(trifluoromethyl)phenacyl bromide - CAS 537050-11-6
Catalog: |
BB064795 |
Product Name: |
2-Fluoro-3-(trifluoromethyl)phenacyl bromide |
CAS: |
537050-11-6 |
Synonyms: |
2-Fluoro-3-(trifluoromethyl)phenacyl bromide; 2-bromo-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone; 2-Fluoro-3-(trifluoromethyl)phenacylbromide |
IUPAC Name: | 2-bromo-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone |
Description: | 2-Fluoro-3-(trifluoromethyl)phenacyl bromide |
Molecular Weight: | 285.03 |
Molecular Formula: | C9H5BrF4O |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)CBr |
InChI: | InChI=1S/C9H5BrF4O/c10-4-7(15)5-2-1-3-6(8(5)11)9(12,13)14/h1-3H,4H2 |
InChI Key: | HFALZDRQGOFSDO-UHFFFAOYSA-N |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.94599 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.94599 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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