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914637-55-1

914637-55-1 structural image
Product Name: 2-BENZENESULFONYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
Formula: C14H9F3O4S
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COMPUTED DESCRIPTORS

Molecular Weight 330.28 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 330.01736442 g/mol
Monoisotopic Mass 330.01736442 g/mol
Topological Polar Surface Area 79.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 503
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