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Home Other Building Blocks 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one

1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one

CAS No.:
117896-99-8
Catalog Number:
AG003D5L
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$505
- +
Product Description
Catalog Number:
AG003D5L
Chemical Name:
1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one
CAS Number:
117896-99-8
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD24714710
IUPAC Name:
1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
InChI:
InChI=1S/C10H9F3O2/c11-10(12,13)9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2
InChI Key:
AGHAHUKOERNMBX-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CCc1ccc(cc1)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties