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Home Other Building Blocks 5-(trifluoromethyl)-1,3-oxazole

5-(trifluoromethyl)-1,3-oxazole

CAS No.:
1359706-47-0
Catalog Number:
AG01B5BY
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
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Product Description
Catalog Number:
AG01B5BY
Chemical Name:
5-(trifluoromethyl)-1,3-oxazole
CAS Number:
1359706-47-0
Molecular Formula:
C4H2F3NO
Molecular Weight:
137.0600
MDL Number:
MFCD30181029
IUPAC Name:
5-(trifluoromethyl)-1,3-oxazole
InChI:
InChI=1S/C4H2F3NO/c5-4(6,7)3-1-8-2-9-3/h1-2H
InChI Key:
VTFXKJADNVMIIB-UHFFFAOYSA-N
SMILES:
FC(c1ocnc1)(F)F
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.061g/mol
Monoisotopic Mass:
137.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Quantitative structure-cytotoxicity relationship analysis of 5-trifluoromethyloxazole derivatives by a semiempirical molecular-orbital method with the concept of absolute hardness. Anticancer research 20080101
Properties