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Home Other Building Blocks 3,4,5-Trifluorophenol

3,4,5-Trifluorophenol

CAS No.:
99627-05-1
Catalog Number:
AG0036UG
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$40
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG0036UG
Chemical Name:
3,4,5-Trifluorophenol
CAS Number:
99627-05-1
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
MDL Number:
MFCD00042427
IUPAC Name:
3,4,5-trifluorophenol
InChI:
InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChI Key:
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
SMILES:
Oc1cc(F)c(c(c1)F)F
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.084g/mol
Monoisotopic Mass:
148.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase. Biochemistry 20070213
Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. PLoS biology 20060401
Properties