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78160-05-1

78160-05-1 structural image
Product Name: 5-NITRO-2-P-TOLYLSULFANYL-BENZOIC ACID
Formula: C14H11NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 289.31 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 289.04087901 g/mol
Monoisotopic Mass 289.04087901 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 363
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