Home Other Building Blocks 3-Fluoro-4-(trifluoromethoxy)benzoic acid

3-Fluoro-4-(trifluoromethoxy)benzoic acid

CAS No.:
886498-89-1
Catalog Number:
AG0038DF
Molecular Formula:
C8H4F4O3
Molecular Weight:
224.1092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$189
- +
10g
95%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG0038DF
Chemical Name:
3-Fluoro-4-(trifluoromethoxy)benzoic acid
CAS Number:
886498-89-1
Molecular Formula:
C8H4F4O3
Molecular Weight:
224.1092
MDL Number:
MFCD00079714
IUPAC Name:
3-fluoro-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4F4O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
PIBFTHWKVKHHMA-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OC(F)(F)F)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.111g/mol
Monoisotopic Mass:
224.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties