1,2-Benzisothiazole-3-carboxylic acid, 6-bromo-, ethyl ester


Chemical Name: 1,2-Benzisothiazole-3-carboxylic acid, 6-bromo-, ethyl ester
CAS Number: 858671-74-6
Product Number: AG004R46(AGN-PC-07YK7O)
Synonyms:
MDL No:
Molecular Formula: C10H8BrNO2S
Molecular Weight: 286.1450

Identification/Properties


Properties
BP:
323.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
286.143g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
284.946g/mol
Monoisotopic Mass:
284.946g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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