5-Isothiazolecarboxylic acid, 3,4-dichloro-


Chemical Name: 5-Isothiazolecarboxylic acid, 3,4-dichloro-
CAS Number: 18480-53-0
Product Number: AG00387G(AGN-PC-0JKXBS)
Synonyms:
MDL No:
Molecular Formula: C4HCl2NO2S
Molecular Weight: 198.0272

Identification/Properties


Computed Properties
Molecular Weight:
198.017g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
196.911g/mol
Monoisotopic Mass:
196.911g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
156
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


NMR Spectrum


Other Analytical Data


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