Isothiazole, 5-bromo-3-methyl-


Chemical Name: Isothiazole, 5-bromo-3-methyl-
CAS Number: 20493-60-1
Product Number: AG0029RP(AGN-PC-0JTL94)
Synonyms:
MDL No:
Molecular Formula: C4H4BrNS
Molecular Weight: 178.0503

Identification/Properties


Computed Properties
Molecular Weight:
178.047g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
176.925g/mol
Monoisotopic Mass:
176.925g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
68.7
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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