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948292-48-6

948292-48-6 structural image
Product Name: ETHYL 3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
Formula: C12H11BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 295.13 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 294.00039 g/mol
Monoisotopic Mass 294.00039 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 267
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