chempirical

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid

C8H9BClFO3CAS 909122-50-5218.42 g/mol

Open in Covalent MOL file
BOClFHOHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C8H9BClFO3
Molar mass
218.42 g/mol
Exact mass
218.0317 Da
logP
0.56Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
909122-50-5
SMILES
B(C1=C(C(=C(C=C1)OCC)Cl)F)(O)O
InChIKey
BSNGRABEOSVUSC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3

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Names and synonyms

1 names
  • 3-Chloro-4-ethoxy-2-fluorophenylboronic acid

Work with (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid

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

B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-573 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-471 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-255 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-255 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-655 % similar (2-Ethoxyphenyl)boronic acid213211-69-954 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-449 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-649 % similar

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

Elsewhere

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