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141998-77-8

141998-77-8 structural image
Product Name: ethyl 5-iodo-1H-pyrazole-3-carboxylate
Formula: C6H7IN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 266.04 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 265.95523 g/mol
Monoisotopic Mass 265.95523 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 154
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

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