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C₁₁H₆BrCl₂NO₃S₂CAS 519055-62-0415.10 g/mol

Open in Covalent MOL file

Amide Aryl halide Sulfonamide

Properties

Molecular formula: C₁₁H₆BrCl₂NO₃S₂
Molar mass: 415.10 g/mol
Exact mass: 412.8350 Da
logP: 3.94Crippen estimate
Polar surface area: 63.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

519055-62-0

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br

InChIKey

WWONFUQGBVOKOF-UHFFFAOYSA-N

InChI

InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

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Similar compounds

2,4-Dichlorobenzhydrazide5814-06-247 % similar 5-Bromo-N-tert-butyl-2-thiophenesulfonamide286932-39-640 % similar 2,4-Dichlorobenzoyl chloride89-75-839 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-838 % similar 2,4-Dichlorophenacyl bromide2631-72-338 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-238 % similar 2,4-Dichlorobenzoyl peroxide133-14-238 % similar 2',4'-Dichloroacetophenone2234-16-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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