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17514-60-2

17514-60-2 structural image
Product Name: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE
Formula: C12H11NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 265.29 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 265.04087901 g/mol
Monoisotopic Mass 265.04087901 g/mol
Topological Polar Surface Area 100 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 344
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