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1187928-54-6

1187928-54-6 structural image
Product Name: 7-BroMo-benzothiazole-2-carboxylic acid
Formula: C8H4BrNO2S
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COMPUTED DESCRIPTORS

Molecular Weight 258.09 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 256.91461 g/mol
Monoisotopic Mass 256.91461 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 226
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