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Home Halogens 3,5,6-Trichlorosalicylic acid

3,5,6-Trichlorosalicylic acid

CAS No.:
40932-60-3
Catalog Number:
AG0073XN
Molecular Formula:
C7H3Cl3O3
Molecular Weight:
241.4559
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0073XN
Chemical Name:
3,5,6-Trichlorosalicylic acid
CAS Number:
40932-60-3
Molecular Formula:
C7H3Cl3O3
Molecular Weight:
241.4559
MDL Number:
MFCD00075245
IUPAC Name:
2,3,5-trichloro-6-hydroxybenzoic acid
InChI:
InChI=1S/C7H3Cl3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)
InChI Key:
IIHCUZVBIMTHEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c(Cl)cc(c1Cl)Cl
EC Number:
255-144-9
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.915g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.448g/mol
Monoisotopic Mass:
239.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
On the photophysics of 3,5,6-Trichlorosalicylic acid: spectroscopic study combined with Hartree-Fock and Density Functional Theory calculations. Journal of fluorescence 20110501
Constrained photophysics of an ESIPT probe within β-cyclodextrin nanocavity and chaotrope-induced perturbation of the binding phenomenon: implication towards hydrophobic interaction mechanism between urea and the molecular probe. Journal of colloid and interface science 20110101
Salicylate activity. 3. Structure relationship to systemic acquired resistance. Journal of agricultural and food chemistry 20051214
Properties