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937-16-6

937-16-6 structural image
Product Name: METHYL 4,5-DIBROMO-1H-PYRROLE-2-CARBOXYLATE
Formula: C6H5Br2NO2
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COMPUTED DESCRIPTORS

Molecular Weight 282.92 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 282.86665 g/mol
Monoisotopic Mass 280.86870 g/mol
Topological Polar Surface Area 42.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 165
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

PRODUCT INTRODUCTION

description

methyl 4,5-dibromo-1H-pyrrole-2-carboxylate is a natural product found in Agelas oroides with data available.