(3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one - CAS 1381952-86-8
Catalog: |
BB062088 |
Product Name: |
(3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
CAS: |
1381952-86-8 |
Synonyms: |
(3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one; (E)-4-[2-bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
IUPAC Name: | (E)-4-[2-bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
Description: | (3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
Molecular Weight: | 309.08 |
Molecular Formula: | C11H8BrF3O2 |
Canonical SMILES: | CC(=O)C=CC1=C(C=CC=C1Br)OC(F)(F)F |
InChI: | InChI=1S/C11H8BrF3O2/c1-7(16)5-6-8-9(12)3-2-4-10(8)17-11(13,14)15/h2-6H,1H3/b6-5+ |
InChI Key: | KHRPNNZODGRFMN-AATRIKPKSA-N |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 307.96598 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.96598 |
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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