Home Carboxys 2-Chloro-1,3-thiazole-5-carboxylic acid

2-Chloro-1,3-thiazole-5-carboxylic acid

CAS No.:
101012-12-8
Catalog Number:
AG0003JK
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$94
- +
100g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0003JK
Chemical Name:
2-Chloro-1,3-thiazole-5-carboxylic acid
CAS Number:
101012-12-8
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD02187331
IUPAC Name:
2-chloro-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChI Key:
HNJOKQPEJIWTRF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)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
Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition. Journal of agricultural and food chemistry 20110511
Properties