2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

C₈H₁₀BClO₃CAS 313545-44-7200.42 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₁₀BClO₃
Molar mass: 200.42 g/mol
Exact mass: 200.0412 Da
logP: 0.42Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

313545-44-7

SMILES

B(C1=C(C=C(C=C1)OCC)Cl)(O)O

InChIKey

GMFQJZUNQAJZDH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-ethoxyphenylboronic acid

Work with 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

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

4-Ethoxy-2-methylphenylboronic acid313545-31-265 % similar 2-Chloro-4-methoxyphenylboronic acid219735-99-664 % similar 2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-554 % similar 4-Ethoxyphenylboronic acid22237-13-453 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-147 % similar 1,3-Diethoxybenzene2049-73-247 % similar (2-Ethoxyphenyl)boronic acid213211-69-946 % similar

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

Same formula

3-Chloro-4-ethoxyphenylboronic acid279261-81-3 5-Chloro-2-ethoxyphenylboronic acid352534-86-2

Elsewhere

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