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24647-78-7

24647-78-7 structural image
Product Name: 4-NITRO-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Formula: C6H5NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 187.18 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 186.99392881 g/mol
Monoisotopic Mass 186.99392881 g/mol
Topological Polar Surface Area 100 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 202
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