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Homecas374675-64-6

374675-64-6

374675-64-6 structural image
Product Name: P-TOLYL ISOCYANATE
Formula: C8H7NO
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COMPUTED DESCRIPTORS

Molecular Weight 133.15 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 133.052763847 g/mol
Monoisotopic Mass 133.052763847 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 141
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

4-tolyl isocyanate is an isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other. It has a role as a hapten and an allergen. It is a member of isocyanates and a member of toluenes.