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Home Other Building Blocks 2,4,5-Trifluorobenzoic acid

2,4,5-Trifluorobenzoic acid

CAS No.:
446-17-3
Catalog Number:
AG0032YE
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$62
- +
500g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0032YE
Chemical Name:
2,4,5-Trifluorobenzoic acid
CAS Number:
446-17-3
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
MDL Number:
MFCD00013306
IUPAC Name:
2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
AKAMNXFLKYKFOJ-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(cc1F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.094g/mol
Monoisotopic Mass:
176.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands. Dalton transactions (Cambridge, England : 2003) 20110121
Properties