2-(Trifluoromethoxy)benzenesulfonyl isocyanate

C₈H₄F₃NO₄SCAS 99722-81-3267.18 g/mol

Open in Covalent MOL file

Alkyl halide Ether Isocyanate

Properties

Molecular formula: C₈H₄F₃NO₄S
Molar mass: 267.18 g/mol
Exact mass: 266.9813 Da
logP: 1.61Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

99722-81-3

SMILES

O=C=NS(=O)(=O)c1ccccc1OC(F)(F)F

InChIKey

WBOGEOPCZKEEIM-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F3NO4S/c9-8(10,11)16-6-3-1-2-4-7(6)17(14,15)12-5-13/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)-
2-Trifluoromethoxyphenylsulfonyl isocyanate

Work with 2-(Trifluoromethoxy)benzenesulfonyl isocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-154 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-354 % similar 2-Chlorobenzenesulfonyl isocyanate64900-65-851 % similar Benzenesulfonyl isocyanate2845-62-746 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-440 % similar 1-Isothiocyanato-2-(trifluoromethoxy)benzene175205-33-140 % similar 2-Trifluoromethoxyaniline1535-75-739 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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