Home Other Building Blocks 3-Chlorosalicylic acid

3-Chlorosalicylic acid

CAS No.:
1829-32-9
Catalog Number:
AG002488
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$27
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$132
- +
25g
97%
In Stock USA
United States
$282
- +
100g
97%
In Stock USA
United States
$732
- +
Product Description
Catalog Number:
AG002488
Chemical Name:
3-Chlorosalicylic acid
CAS Number:
1829-32-9
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
MDL Number:
MFCD00010390
IUPAC Name:
3-chloro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChI Key:
PPINMMULCRBDOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1O)Cl
EC Number:
217-379-5
NSC Number:
18854
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Waveguide-mode sensors as aptasensors. Sensors (Basel, Switzerland) 20120101
Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II). Acta crystallographica. Section E, Structure reports online 20110701
Structure-based optimization and biological evaluation of human 20α-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors. European journal of medicinal chemistry 20101101
Topliss method in the optimization of salicylic Acid derivatives as potential antimycobacterial agents. Chemical biology & drug design 20080201
Salicylate activity. 3. Structure relationship to systemic acquired resistance. Journal of agricultural and food chemistry 20051214
Overexpression, purification and characterization of a new salicylate hydroxylase from naphthalene-degrading Pseudomonas sp. strain ND6. Microbiological research 20050101
Metabolism of niclosamide in sediment and water systems. Journal of agricultural and food chemistry 20040922
Anaerobic degradation and dehalogenation of chlorosalicylates and salicylate under four reducing conditions. Biodegradation 20010101
Properties