5-Chlorothiophene-2-boronic acid pinacol ester

C₁₀H₁₄BClO₂SCAS 635305-24-7244.54 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₀H₁₄BClO₂S
Molar mass: 244.54 g/mol
Exact mass: 244.0496 Da
logP: 2.70Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

635305-24-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)Cl

InChIKey

DDDRRTOIHWNUSI-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BClO2S/c1-9(2)10(3,4)14-11(13-9)7-5-6-8(12)15-7/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

1 names

2-(5-Chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with 5-Chlorothiophene-2-boronic acid pinacol ester

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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-154 % similar Thiophene-2-boronic acid pinacol ester193978-23-349 % similar 5-Chlorothiophene-2-boronic acid162607-18-345 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-145 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-844 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole1086111-09-243 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-143 % similar 2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-51-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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