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Home Other Building Blocks 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
17969-20-9
Catalog Number:
AG00277J
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$132
- +
5g
98%
In Stock USA
United States
$444
- +
10g
98%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00277J
Chemical Name:
2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
17969-20-9
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD00721754
IUPAC Name:
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key:
APBSKHYXXKHJFK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1ccc(cc1)Cl
UNII:
58SRQ4DV53
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans. Toxicological sciences : an official journal of the Society of Toxicology 20140101
In vitro exploration of potential mechanisms of toxicity of the human hepatotoxic drug fenclozic acid. Archives of toxicology 20130801
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Properties