Home Other Building Blocks 2-Methyl-4-(trifluoromethoxy)benzoic acid

2-Methyl-4-(trifluoromethoxy)benzoic acid

CAS No.:
261951-91-1
Catalog Number:
AG002S6A
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$812
- +
Product Description
Catalog Number:
AG002S6A
Chemical Name:
2-Methyl-4-(trifluoromethoxy)benzoic acid
CAS Number:
261951-91-1
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD01631542
IUPAC Name:
2-methyl-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C9H7F3O3/c1-5-4-6(15-9(10,11)12)2-3-7(5)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
GINWJGHZNRKJEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)OC(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties