1-Bromo-4-(2-fluorophenoxy)benzene - CAS 56985-66-1
Catalog: |
BB071679 |
Product Name: |
1-Bromo-4-(2-fluorophenoxy)benzene |
CAS: |
56985-66-1 |
Synonyms: |
1-bromo-4-(2-fluorophenoxy)benzene; 2-Fluorophenyl(4-bromophenyl) ether |
IUPAC Name: | 1-bromo-4-(2-fluorophenoxy)benzene |
Description: | 1-Bromo-4-(2-fluorophenoxy)benzene acts as a reagent in the structural activity relationship studies of fluoro subtitutions on the biological and toxic effects of 4-bromodiphenyl ether. |
Molecular Weight: | 267.09 |
Molecular Formula: | C12H8BrFO |
Canonical SMILES: | C1=CC=C(C(=C1)OC2=CC=C(C=C2)Br)F |
InChI: | InChI=1S/C12H8BrFO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H |
InChI Key: | MYOFJVGLJVIODG-UHFFFAOYSA-N |
References: | Kloesener, J., et al. Acta Cryst. B, 64, 108 (2008). |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.97426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.97426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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