Home Halogens 2-(2,4-dichlorophenyl)-2-hydroxyacetic acid

2-(2,4-dichlorophenyl)-2-hydroxyacetic acid

CAS No.:
7554-78-1
Catalog Number:
AG01EK7N
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
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Product Description
Catalog Number:
AG01EK7N
Chemical Name:
2-(2,4-dichlorophenyl)-2-hydroxyacetic acid
CAS Number:
7554-78-1
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
MDL Number:
MFCD01715904
IUPAC Name:
2-(2,4-dichlorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H6Cl2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChI Key:
YBOCBYSVZOREGT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1Cl)Cl)O
NSC Number:
409412
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.033g/mol
Monoisotopic Mass:
219.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Key issues in the modes of action and effects of trichloroethylene metabolites for liver and kidney tumorigenesis. Environmental health perspectives 20060901
Properties