5-Chloro-2-ethoxyphenylboronic acid

C8H10BClO3CAS 352534-86-2200.42 g/mol

Open in Covalent MOL file
OClBHOOH
Aryl halideBoronic acidEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
352534-86-2
SMILES
CCOc1ccc(Cl)cc1B(O)O
InChIKey
OSMBQNBPCSSVMT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Boronic acid, B-(5-chloro-2-ethoxyphenyl)-
  • Boronic acid, (5-chloro-2-ethoxyphenyl)-
  • B-(5-Chloro-2-ethoxyphenyl)boronic acid
  • 2-Ethoxy-5-chlorophenylboronic acid

Work with 5-Chloro-2-ethoxyphenylboronic 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

2-Ethoxy-5-methylphenylboronic acid123291-97-465 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-464 % similar (2-Ethoxyphenyl)boronic acid213211-69-958 % similar (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid909122-50-555 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-553 % similar 5-Chloro-2-methylphenylboronic acid148839-33-251 % similar 4-Chloro-2-methoxyphenylboronic acid762287-57-051 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-ethoxyphenylboronic acid279261-81-3 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-7

Elsewhere

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