Home Other Building Blocks 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid

3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid

CAS No.:
186517-41-9
Catalog Number:
AG003J6R
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$62
- +
5g
95%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG003J6R
Chemical Name:
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
CAS Number:
186517-41-9
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
MDL Number:
MFCD01631342
IUPAC Name:
3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3ClF4O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
InChI Key:
PCNHWBAPTNAREE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(Cl)ccc1C(F)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.554g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties