5-Bromo-2-methoxybenzenesulfonyl chloride

C₇H₆BrClO₃SCAS 23095-05-8285.54 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrClO₃S
Molar mass: 285.54 g/mol
Exact mass: 283.8910 Da
logP: 2.39Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 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

23095-05-8

SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)Cl

InChIKey

IXSBNNRUQYYMRM-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrClO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-methoxybenzene-1-sulfonyl chloride

Work with 5-Bromo-2-methoxybenzenesulfonyl 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

2,5-Dimethoxybenzenesulfonyl chloride1483-28-967 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-565 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-265 % similar 2-Methoxybenzenesulfonyl chloride10130-87-758 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-858 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-657 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-455 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-254 % similar

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

Elsewhere

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