1-(4-Bromo-1-phenylbut-1-en-1-yl)-4-fluorobenzene - CAS 85375-29-7
Catalog: |
BB071966 |
Product Name: |
1-(4-Bromo-1-phenylbut-1-en-1-yl)-4-fluorobenzene |
CAS: |
85375-29-7 |
Synonyms: |
1-(4-Bromo-1-phenylbut-1-en-1-yl)-4-fluorobenzene; 1-[(E)-4-Bromo-1-phenylbut-1-enyl]-4-fluorobenzene |
IUPAC Name: | 1-[(E)-4-bromo-1-phenylbut-1-enyl]-4-fluorobenzene |
Description: | 1-(4-Bromo-1-phenylbut-1-en-1-yl)-4-fluorobenzene is an intermediate formed in the synthesis of Desfluoro Pimozide (D289865), an impurity of Pimozide (P447800). |
Molecular Weight: | 305.18 |
Molecular Formula: | C16H14BrF |
Canonical SMILES: | C1=CC=C(C=C1)C(=CCCBr)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C16H14BrF/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-11H,4,12H2/b16-7+ |
InChI Key: | KGAXPFIJBMXPLB-FRKPEAEDSA-N |
Solubility: | DCM, Diethyl Ether, Methanol |
Appearance: | Yellow Oil |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 304.02629 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.02629 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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