499771-04-9
Product Name:
1-(2,1,3-BENZOTHIADIAZOL-4-YL)-2-BROMO-1-ETHANONE,97%
Formula:
C8H5BrN2OS
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COMPUTED DESCRIPTORS
Molecular Weight | 257.11 g/mol |
---|---|
XLogP3 | 2.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 255.93060 g/mol |
Monoisotopic Mass | 255.93060 g/mol |
Topological Polar Surface Area | 71.1 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 214 |
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 |