3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal - CAS 955403-57-3
Catalog: |
BB041758 |
Product Name: |
3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal |
CAS: |
955403-57-3 |
Synonyms: |
3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal; 3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal |
IUPAC Name: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal |
Description: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]propanal (CAS# 955403-57-3 ) is a useful research chemical. |
Molecular Weight: | 220.167 |
Molecular Formula: | C10H8F4O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)CCC=O)F |
InChI: | InChI=1S/C10H8F4O/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-6H,1-2H2 |
InChI Key: | PQFSSZYGBZWGKV-UHFFFAOYSA-N |
Boiling Point: | 203.3 ℃ at 760 mmHg |
Density: | 1.266 g/cm3 |
LogP: | 2.97600 |
Publication Number | Title | Priority Date |
EP-2013209-B1 | Pyrazolo-tetrahydropyridine derivatives as orexin receptor antagonists | 20060426 |
US-2009099228-A1 | Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists | 20060426 |
US-7834028-B2 | Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists | 20060426 |
WO-2007122591-A2 | Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists | 20060426 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.05112752 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.05112752 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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