Home Halogens 3,5-Dichlorosalicylic acid

3,5-Dichlorosalicylic acid

CAS No.:
320-72-9
Catalog Number:
AG003ILG
Molecular Formula:
C7H4Cl2O3
Molecular Weight:
207.0109
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
$63
- +
500g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003ILG
Chemical Name:
3,5-Dichlorosalicylic acid
CAS Number:
320-72-9
Molecular Formula:
C7H4Cl2O3
Molecular Weight:
207.0109
MDL Number:
MFCD00002442
IUPAC Name:
3,5-dichloro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChI Key:
CNJGWCQEGROXEE-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)C(=O)O)O
EC Number:
206-281-8
UNII:
O6PXR32G3V
NSC Number:
30109
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.006g/mol
Monoisotopic Mass:
205.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Spectral deciphering of the interaction between an intramolecular hydrogen bonded ESIPT drug, 3,5-dichlorosalicylic acid, and a model transport protein. Physical chemistry chemical physics : PCCP 20120707
Two centrosymmetric dinuclear phenanthroline-copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20120401
On the photophysics of 3,5,6-Trichlorosalicylic acid: spectroscopic study combined with Hartree-Fock and Density Functional Theory calculations. Journal of fluorescence 20110501
Probing the inhibitor selectivity pocket of human 20α-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis. Bioorganic & medicinal chemistry letters 20110415
Structure-based optimization and biological evaluation of human 20α-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors. European journal of medicinal chemistry 20101101
Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). Journal of medicinal chemistry 20090528
Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase. Bioorganic & medicinal chemistry 20090201
Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: implications for inhibitor binding and selectivity. Archives of biochemistry and biophysics 20081101
Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid. Journal of medicinal chemistry 20080814
Identification of a cytochrome P450 cDNA (CYP98A5) from Phaseolus vulgaris, inducible by 3,5-dichlorosalicylic acid and 2,6-dichloro isonicotinic acid. Journal of plant physiology 20070401
Salicylic acid, an ambimobile molecule exhibiting a high ability to accumulate in the phloem. Plant physiology 20060801
Salicylate activity. 3. Structure relationship to systemic acquired resistance. Journal of agricultural and food chemistry 20051214
Guest-controlling effects on ER behaviors of beta-cyclodextrin polymer. Journal of colloid and interface science 20050901
Biochemical and molecular characterization of a ring fission dioxygenase with the ability to oxidize (substituted) salicylate(s) from Pseudaminobacter salicylatoxidans. The Journal of biological chemistry 20040903
Properties