3(2H)-Isothiazolone, 5-chloro-2-methyl-


Chemical Name: 3(2H)-Isothiazolone, 5-chloro-2-methyl-
CAS Number: 26172-55-4
Product Number: AG00384S(AGN-PC-0JKN3D)
Synonyms:
MDL No: MFCD00792550
Molecular Formula: C4H4ClNOS
Molecular Weight: 149.5987

Identification/Properties


Computed Properties
Molecular Weight:
149.592g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
148.97g/mol
Monoisotopic Mass:
148.97g/mol
Topological Polar Surface Area:
45.6A^2
Heavy Atom Count:
8
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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