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71048-69-6

71048-69-6 structural image
Product Name: 2-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE
Formula: C7H3ClFNS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 58.08 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 57.97514518 g/mol
Monoisotopic Mass 57.97514518 g/mol
Topological Polar Surface Area 24.8 Ų
Heavy Atom Count 3
Formal Charge -1
Complexity 31.3
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

Thiocyanate is a pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. It has a role as a human metabolite. It is a pseudohalide anion and a sulfur molecular entity. It is a conjugate base of an isothiocyanic acid and a thiocyanic acid.

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