Home Other Building Blocks 3-Chloro-4-(trifluoromethyl)benzoic acid

3-Chloro-4-(trifluoromethyl)benzoic acid

CAS No.:
115754-20-6
Catalog Number:
AG000GU3
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$117
- +
5g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG000GU3
Chemical Name:
3-Chloro-4-(trifluoromethyl)benzoic acid
CAS Number:
115754-20-6
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD04972755
IUPAC Name:
3-chloro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4ClF3O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
UDXPRKSPAZWHQN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.563g/mol
Monoisotopic Mass:
223.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties