Home Other Building Blocks 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one

CAS No.:
1060815-96-4
Catalog Number:
AG01A71B
Molecular Formula:
C6H4F3NOS
Molecular Weight:
195.1623
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Product Description
Catalog Number:
AG01A71B
Chemical Name:
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CAS Number:
1060815-96-4
Molecular Formula:
C6H4F3NOS
Molecular Weight:
195.1623
MDL Number:
MFCD11847038
IUPAC Name:
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
InChI:
InChI=1S/C6H4F3NOS/c1-3(11)5-10-4(2-12-5)6(7,8)9/h2H,1H3
InChI Key:
VGGMVWKKEMAJJF-UHFFFAOYSA-N
SMILES:
CC(=O)c1scc(n1)C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.997g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.159g/mol
Monoisotopic Mass:
194.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties