4-Bromo-2-propanoyl-1-(trifluoromethoxy)benzene - CAS 1261439-45-5
Catalog: |
BB061985 |
Product Name: |
4-Bromo-2-propanoyl-1-(trifluoromethoxy)benzene |
CAS: |
1261439-45-5 |
Synonyms: |
4-Bromo-2-propanoyl-1-(trifluoromethoxy)benzene; 1-[5-bromo-2-(trifluoromethoxy)phenyl]propan-1-one; 5'-Bromo-2'-(trifluoromethoxy)propiophenone |
IUPAC Name: | 1-[5-bromo-2-(trifluoromethoxy)phenyl]propan-1-one |
Description: | 4-Bromo-2-propanoyl-1-(trifluoromethoxy)benzene |
Molecular Weight: | 297.07 |
Molecular Formula: | C10H8BrF3O2 |
Canonical SMILES: | CCC(=O)C1=C(C=CC(=C1)Br)OC(F)(F)F |
InChI: | InChI=1S/C10H8BrF3O2/c1-2-8(15)7-5-6(11)3-4-9(7)16-10(12,13)14/h3-5H,2H2,1H3 |
InChI Key: | XBWOEZQMXBRJDF-UHFFFAOYSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.96598 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.96598 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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