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Home Halogens 2,4,6-Trichlorobenzoic acid

2,4,6-Trichlorobenzoic acid

CAS No.:
50-43-1
Catalog Number:
AG006TTV
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$44
- +
25g
97%
In Stock USA
United States
$75
- +
100g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG006TTV
Chemical Name:
2,4,6-Trichlorobenzoic acid
CAS Number:
50-43-1
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
MDL Number:
MFCD00060699
IUPAC Name:
2,4,6-trichlorobenzoic acid
InChI:
InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key:
RAFFVQBMVYYTQS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cc(cc1Cl)Cl
UNII:
0BWG1HX6CK
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.92g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.449g/mol
Monoisotopic Mass:
223.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Phenoxy herbicides and fibrates potently inhibit the human chemosensory receptor subunit T1R3. Journal of medicinal chemistry 20091112
catena-Poly[[trimethyl-tin(IV)]-μ-2,4,6-trichloro-benzoato]. Acta crystallographica. Section E, Structure reports online 20090101
Properties