2-Chlorobenzenesulfonyl isocyanate

C₇H₄ClNO₃SCAS 64900-65-8217.62 g/mol

Open in Covalent MOL file

Aryl halide Isocyanate

Properties

Molecular formula: C₇H₄ClNO₃S
Molar mass: 217.62 g/mol
Exact mass: 216.9600 Da
Boiling point: 160–164 °C (at 14 Torr)
logP: 1.36Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

64900-65-8

SMILES

O=C=NS(=O)(=O)c1ccccc1Cl

InChIKey

LALCDSDHLXWTTL-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H

Weigh it out

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

Names and synonyms

6 names

2-Chlorobenzene-1-sulfonyl isocyanate
Benzenesulfonyl isocyanate, 2-chloro-
o-Chlorobenzenesulfonyl isocyanate
(o-Chlorophenyl)sulfonyl isocyanate
(2-Chlorophenyl)sulfonyl isocyanate
1-Chloro-2-(isocyanatosulfonyl)benzene

Work with 2-Chlorobenzenesulfonyl 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

Benzenesulfonyl isocyanate2845-62-755 % similar 2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-351 % similar 2-Chlorobenzenesulfonyl chloride2905-23-947 % similar 2-Chlorophenyl isocyanate3320-83-046 % similar 2-Chlorobenzenesulfonamide6961-82-646 % similar 2,6-Dichlorophenyl isocyanate39920-37-144 % similar P-Toluenesulfonyl isocyanate4083-64-142 % similar 2,3-Dichlorophenyl isocyanate41195-90-839 % similar

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

Elsewhere

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