Home Other Building Blocks 5-fluoro-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

5-fluoro-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

CAS No.:
70276-69-6
Catalog Number:
AG01B6D2
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
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Product Description
Catalog Number:
AG01B6D2
Chemical Name:
5-fluoro-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
CAS Number:
70276-69-6
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
MDL Number:
MFCD16615415
IUPAC Name:
5-fluoro-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
InChI:
InChI=1S/C10H5F4NO/c11-8-7(10(12,13)14)15-9(16-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
PWMKGRHSCBQLQG-UHFFFAOYSA-N
SMILES:
Fc1oc(nc1C(F)(F)F)c1ccccc1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.15g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Domino reactions with fluorinated five-membered heterocycles. alpha-Trifluoromethyl alpha-amino acids with unsaturated side-chains. Amino acids 20061101
Properties