2-Bromo-4,6-difluorobenzenesulfonyl chloride

C₆H₂BrClF₂O₂SCAS 351003-42-4291.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrClF₂O₂S
Molar mass: 291.49 g/mol
Exact mass: 289.8615 Da
logP: 2.65Crippen 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 46 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

351003-42-4

SMILES

C1=C(C=C(C(=C1F)S(=O)(=O)Cl)Br)F

InChIKey

LBDIILUAEZRJMW-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(10)6(4)13(8,11)12/h1-2H

Weigh it out

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

Work with 2-Bromo-4,6-difluorobenzenesulfonyl 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

2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-754 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-550 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-849 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-947 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-547 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-347 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-547 % similar 2,6-Difluorobenzenesulfonyl chloride60230-36-646 % similar

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

Same formula

4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-9 5-Bromo-2,4-difluorobenzenesulfonyl chloride287172-61-6 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-1

Elsewhere

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