methyl 1,3-benzothiazole-7-carboxylate


Chemical Name: methyl 1,3-benzothiazole-7-carboxylate
CAS Number: 1038509-28-2
Product Number: AG007X36(AGN-PC-0CUHS1)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2S
Molecular Weight: 193.2224

Identification/Properties


Computed Properties
Molecular Weight:
193.22g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
193.02g/mol
Monoisotopic Mass:
193.02g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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


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