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Home Other Building Blocks 3-Hydroxy-2,4,5-trifluorobenzoic acid

3-Hydroxy-2,4,5-trifluorobenzoic acid

CAS No.:
116751-24-7
Catalog Number:
AG000D6Z
Molecular Formula:
C7H3F3O3
Molecular Weight:
192.0921
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG000D6Z
Chemical Name:
3-Hydroxy-2,4,5-trifluorobenzoic acid
CAS Number:
116751-24-7
Molecular Formula:
C7H3F3O3
Molecular Weight:
192.0921
MDL Number:
MFCD00800378
IUPAC Name:
2,4,5-trifluoro-3-hydroxybenzoic acid
InChI:
InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChI Key:
YYAFUGSJSHXYNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)O)F
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.003g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.093g/mol
Monoisotopic Mass:
192.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Diaqua-bis-(4,4'-bipyridine-κN)bis-(2,4,5-trifluoro-3-hy-droxy-benzoato-κO)manganese(II). Acta crystallographica. Section E, Structure reports online 20111201
Properties