6-Benzothiazolecarboxylic acid, 2-methyl-, ethyl ester


Chemical Name: 6-Benzothiazolecarboxylic acid, 2-methyl-, ethyl ester
CAS Number: 103646-25-9
Product Number: AG008V60(AGN-PC-0JU7FV)
Synonyms:
MDL No:
Molecular Formula: C11H11NO2S
Molecular Weight: 221.2755

Identification/Properties


Computed Properties
Molecular Weight:
221.274g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
221.051g/mol
Monoisotopic Mass:
221.051g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
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

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NMR Spectrum


Other Analytical Data


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