Home Other Building Blocks 2,5-Bis(trifluoromethyl)benzoic acid

2,5-Bis(trifluoromethyl)benzoic acid

CAS No.:
42580-42-7
Catalog Number:
AG003FW8
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$54
- +
5g
95%
In Stock USA
United States
$169
- +
25g
95%
In Stock USA
United States
$663
- +
Product Description
Catalog Number:
AG003FW8
Chemical Name:
2,5-Bis(trifluoromethyl)benzoic acid
CAS Number:
42580-42-7
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
MDL Number:
MFCD00013249
IUPAC Name:
2,5-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
InChI Key:
PINBPLCVZSKLTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.119g/mol
Monoisotopic Mass:
258.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties