3-Cyano-4-fluorobenzenesulfonyl chloride

C₇H₃ClFNO₂SCAS 351003-23-1219.61 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃ClFNO₂S
Molar mass: 219.61 g/mol
Exact mass: 218.9557 Da
logP: 1.62Crippen estimate
Polar surface area: 57.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

351003-23-1

SMILES

N#Cc1cc(S(=O)(=O)Cl)ccc1F

InChIKey

KDVZADPGGPBAAK-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClFNO2S/c8-13(11,12)6-1-2-7(9)5(3-6)4-10/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonyl chloride, 3-cyano-4-fluoro-
4-Fluoro-3-cyanobenzenesulfonyl chloride
3-Cyano-4-fluorobenzene-1-sulfonyl chloride

Work with 3-Cyano-4-fluorobenzenesulfonyl chloride

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

3,4-Difluorobenzenesulfonyl chloride145758-05-062 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-357 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-155 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-653 % similar 5-Chloro-2-fluorobenzonitrile57381-34-751 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-551 % similar 3-Cyanobenzene-1-sulfonyl chloride56542-67-751 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-251 % similar

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

Elsewhere

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