4-Bromo-2-fluorobenzene-1-sulfonyl chloride

C₆H₃BrClFO₂SCAS 216159-03-4273.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClFO₂S
Molar mass: 273.50 g/mol
Exact mass: 271.8710 Da
logP: 2.52Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 49 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

216159-03-4

SMILES

C1=CC(=C(C=C1Br)F)S(=O)(=O)Cl

InChIKey

XNYBZLRIUHNRQY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClFO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H

Weigh it out

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

Names and synonyms

1 names

4-Bromo-2-fluorobenzenesulfonyl chloride

Work with 4-Bromo-2-fluorobenzene-1-sulfonyl 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

4-Bromo-2-fluorobenzenesulphonamide214210-30-765 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-864 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-864 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-264 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-062 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-662 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-460 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-660 % similar

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

Same formula

2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-7 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook