Home Other Building Blocks 3-Chloro-5-(trifluoromethyl)benzoic acid

3-Chloro-5-(trifluoromethyl)benzoic acid

CAS No.:
53985-49-2
Catalog Number:
AG0033O0
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$24
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$169
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0033O0
Chemical Name:
3-Chloro-5-(trifluoromethyl)benzoic acid
CAS Number:
53985-49-2
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD04115846
IUPAC Name:
3-chloro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4ClF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
IDLOGBMWOUINGG-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(F)(F)F)C(=O)O
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