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

3-Chloro-4-(trifluoromethoxy)benzoic acid

CAS No.:
158580-93-9
Catalog Number:
AG001QAW
Molecular Formula:
C8H4ClF3O3
Molecular Weight:
240.5638
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$132
- +
25g
98%
In Stock USA
United States
$275
- +
100g
98%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG001QAW
Chemical Name:
3-Chloro-4-(trifluoromethoxy)benzoic acid
CAS Number:
158580-93-9
Molecular Formula:
C8H4ClF3O3
Molecular Weight:
240.5638
MDL Number:
MFCD01631556
IUPAC Name:
3-chloro-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
QGVQWEOEEXGRSD-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OC(F)(F)F)C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.562g/mol
Monoisotopic Mass:
239.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties