3-Bromoisothiazole


Chemical Name: 3-Bromoisothiazole
CAS Number: 55512-82-8
Product Number: AG00372L(AGN-PC-0WA8BW)
Synonyms:
MDL No:
Molecular Formula: C3H2BrNS
Molecular Weight: 164.0237

Identification/Properties


Properties
BP:
85.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
164.02g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
162.909g/mol
Monoisotopic Mass:
162.909g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
50.1
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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