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Home Halogens 4-chloro-1,3-thiazole-2-carboxylic acid

4-chloro-1,3-thiazole-2-carboxylic acid

CAS No.:
1211521-70-8
Catalog Number:
AG01BFVB
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
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Product Description
Catalog Number:
AG01BFVB
Chemical Name:
4-chloro-1,3-thiazole-2-carboxylic acid
CAS Number:
1211521-70-8
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD28118729
IUPAC Name:
4-chloro-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C4H2ClNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8)
InChI Key:
BOZVLMGZCYCCGY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(cs1)Cl
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.949g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.575g/mol
Monoisotopic Mass:
162.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
The greening of pesticide-environment interactions: some personal observations. Environmental health perspectives 20120401
Unique and common metabolites of thiamethoxam, clothianidin, and dinotefuran in mice. Chemical research in toxicology 20061101
Properties