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Home Halogens 2,3,6-Trichlorobenzoic acid

2,3,6-Trichlorobenzoic acid

CAS No.:
50-31-7
Catalog Number:
AG006UXE
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG006UXE
Chemical Name:
2,3,6-Trichlorobenzoic acid
CAS Number:
50-31-7
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
MDL Number:
MFCD00053310
IUPAC Name:
2,3,6-trichlorobenzoic acid
InChI:
InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:
XZIDTOHMJBOSOX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Cl)C(=O)O)Cl
EC Number:
200-026-4
UNII:
VI4ST7ZIQG
NSC Number:
53133
RTECS Number:
DH7700000
UN Number:
2769
Properties
Complexity:
186  
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
Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls. Sensors (Basel, Switzerland) 20100101
Pesticides in surface drinking-water supplies of the northern Great Plains. Environmental health perspectives 20070801
Properties