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101012-12-8 | 5-Thiazolecarboxylic acid, 2-chloro-
CAS No: 101012-12-8 Catalog No: AG0003JK MDL No:MFCD02187331
Product Description
Catalog Number:
AG0003JK
Chemical Name:
5-Thiazolecarboxylic acid, 2-chloro-
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 |
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