[3-(1,3-Dioxolan-2-yl)phenyl](4-fluorophenyl)methanone - CAS 898779-27-6
Catalog: |
BB039659 |
Product Name: |
[3-(1,3-Dioxolan-2-yl)phenyl](4-fluorophenyl)methanone |
CAS: |
898779-27-6 |
Synonyms: |
[3-(1,3-dioxolan-2-yl)phenyl]-(4-fluorophenyl)methanone; [3-(1,3-dioxolan-2-yl)phenyl]-(4-fluorophenyl)methanone |
IUPAC Name: | [3-(1,3-dioxolan-2-yl)phenyl]-(4-fluorophenyl)methanone |
Description: | [3-(1,3-Dioxolan-2-yl)phenyl](4-fluorophenyl)methanone (CAS# 898779-27-6 ) is a useful research chemical. |
Molecular Weight: | 272.27 |
Molecular Formula: | C16H13FO3 |
Canonical SMILES: | C1COC(O1)C2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C16H13FO3/c17-14-6-4-11(5-7-14)15(18)12-2-1-3-13(10-12)16-19-8-9-20-16/h1-7,10,16H,8-9H2 |
InChI Key: | YTFUXEKOZLLXJE-UHFFFAOYSA-N |
Boiling Point: | 415.8 °C at 760 mmHg |
Density: | 1.252 g/cm3 |
MDL: | MFCD07699965 |
LogP: | 3.10210 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.08487243 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.08487243 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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