2-bromo-5,6-dihydro-4H-1,3-benzothiazol-7-one


Chemical Name: 2-bromo-5,6-dihydro-4H-1,3-benzothiazol-7-one
CAS Number: 1201633-72-8
Product Number: AG000QFT(AGN-PC-0730Y0)
Synonyms:
MDL No:
Molecular Formula: C7H6BrNOS
Molecular Weight: 232.0976

Identification/Properties


Computed Properties
Molecular Weight:
232.095g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
230.935g/mol
Monoisotopic Mass:
230.935g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
187
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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