Home Other Building Blocks 6-(trifluoromethyl)-2H-pyran-2-one

6-(trifluoromethyl)-2H-pyran-2-one

CAS No.:
102397-28-4
Catalog Number:
AG019PSR
Molecular Formula:
C6H3F3O2
Molecular Weight:
164.0820
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Product Description
Catalog Number:
AG019PSR
Chemical Name:
6-(trifluoromethyl)-2H-pyran-2-one
CAS Number:
102397-28-4
Molecular Formula:
C6H3F3O2
Molecular Weight:
164.0820
MDL Number:
MFCD12912898
IUPAC Name:
6-(trifluoromethyl)pyran-2-one
InChI:
InChI=1S/C6H3F3O2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H
InChI Key:
BOIQKXCSRGSEEC-UHFFFAOYSA-N
SMILES:
O=c1cccc(o1)C(F)(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.083g/mol
Monoisotopic Mass:
164.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties