5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran

C₁₄H₁₇BO₃CAS 519054-55-8244.10 g/mol

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Properties

Molecular formula: C₁₄H₁₇BO₃
Molar mass: 244.10 g/mol
Exact mass: 244.1271 Da
logP: 2.73Crippen estimate
Polar surface area: 31.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

519054-55-8

SMILES

CC1(C)OB(c2ccc3occc3c2)OC1(C)C

InChIKey

ZQCCCOMKYKVFFN-UHFFFAOYSA-N

InChI

InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9H,1-4H3

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Names and synonyms

5 names

Benzofuran, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran
2-(Benzofuran-5-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
2-(1-Benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran

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)-1H-indole269410-24-451 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-747 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-546 % similar 5-Methoxybenzofuran13391-28-145 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-644 % similar 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269410-22-243 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-243 % similar 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-342 % similar

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

Elsewhere

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