Home Other Building Blocks 3-(Trifluoromethoxy)benzoic acid

3-(Trifluoromethoxy)benzoic acid

CAS No.:
1014-81-9
Catalog Number:
AG0004EW
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0004EW
Chemical Name:
3-(Trifluoromethoxy)benzoic acid
CAS Number:
1014-81-9
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00041501
IUPAC Name:
3-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
OKPFIWIMBJNFSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OC(F)(F)F
EC Number:
213-802-2
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties