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25141-27-9

25141-27-9 | Acetic acid, 2-(2,3,4-trichlorophenoxy)-

CAS No: 25141-27-9 Catalog No: AG002QLU MDL No:

Product Description

Catalog Number:
AG002QLU
Chemical Name:
Acetic acid, 2-(2,3,4-trichlorophenoxy)-
CAS Number:
25141-27-9
Molecular Formula:
C8H5Cl3O3
Molecular Weight:
255.4825
IUPAC Name:
2-(2,3,4-trichlorophenoxy)acetic acid
InChI:
InChI=1S/C8H5Cl3O3/c9-4-1-2-5(8(11)7(4)10)14-3-6(12)13/h1-2H,3H2,(H,12,13)
InChI Key:
QMSFHWZMMPPKIR-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1Cl)Cl)Cl

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.93g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.475g/mol
Monoisotopic Mass:
253.93g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Chronic health impairment due to 2,3,7,8-tetrachloro-dibenzo-p-dioxin exposure. Neuro endocrinology letters 20090101
Aqueous in situ derivatization of carboxylic acids by an ionic carbodiimide and 2,2,2-trifluoroethylamine for electron-capture detection. Journal of chromatography. A 20070323
Neurological and neurophysiological examinations on workers with chronic poisoning by 2,3,7,8-TCDD: follow-up 35 years after exposure. European journal of neurology 20070201

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