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78842-74-7

78842-74-7 structural image
Product Name: METHYL 3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
Formula: C11H9BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 281.10 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 279.98474 g/mol
Monoisotopic Mass 279.98474 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 254
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

3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester is a ring assembly and a member of pyrazoles.