Home Other Building Blocks 2,4,5-Trifluorophenol

2,4,5-Trifluorophenol

CAS No.:
2268-16-8
Catalog Number:
AG003FLU
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$100
- +
5g
95%
1 week
United States
$232
- +
Product Description
Catalog Number:
AG003FLU
Chemical Name:
2,4,5-Trifluorophenol
CAS Number:
2268-16-8
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
MDL Number:
MFCD00061215
IUPAC Name:
2,4,5-trifluorophenol
InChI:
InChI=1S/C6H3F3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChI Key:
ODGMYCITQAIRCI-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(cc1O)F
Properties
Complexity:
120  
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:
1.9  
Literature
Title Journal
Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. PLoS biology 20060401
Properties