Ethanone, 1-(2-benzothiazolyl)-


Chemical Name: Ethanone, 1-(2-benzothiazolyl)-
CAS Number: 1629-78-3
Product Number: AG001TJ6(AGN-PC-0JSKI2)
Synonyms:
MDL No:
Molecular Formula: C9H7NOS
Molecular Weight: 177.2230

Identification/Properties


Computed Properties
Molecular Weight:
177.221g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
177.025g/mol
Monoisotopic Mass:
177.025g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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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