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Home Other Building Blocks 2,4-Bis(trifluoromethyl)benzoic acid

2,4-Bis(trifluoromethyl)benzoic acid

CAS No.:
32890-87-2
Catalog Number:
AG003FOV
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$57
- +
25g
98%
In Stock USA
United States
$207
- +
100g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG003FOV
Chemical Name:
2,4-Bis(trifluoromethyl)benzoic acid
CAS Number:
32890-87-2
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
MDL Number:
MFCD00042496
IUPAC Name:
2,4-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H,16,17)
InChI Key:
JTOIZLCQNWWDCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C(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  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat. Xenobiotica; the fate of foreign compounds in biological systems 20020701
Properties