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


Chemical Name: 5-chloro-1,3-thiazole-2-carboxylic acid
CAS Number: 101012-16-2
Product Number: AG0003JJ(AGN-PC-09TALY)
Synonyms:
MDL No:
Molecular Formula: C4H2ClNO2S
Molecular Weight: 163.5822

Identification/Properties


Computed Properties
Molecular Weight:
163.575g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
162.949g/mol
Monoisotopic Mass:
162.949g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
132
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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