3-Ethoxy-2-fluorophenylboronic acid

C8H10BFO3CAS 855230-61-4183.97 g/mol

Open in Covalent MOL file
OBHOOHF
Aryl halideBoronic acidEther

Properties

Molecular formula
C8H10BFO3
Molar mass
183.97 g/mol
Exact mass
184.0707 Da
logP
-0.10Crippen 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
855230-61-4
SMILES
CCOc1cccc(B(O)O)c1F
InChIKey
DCUXBPVUKGENEJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BFO3/c1-2-13-7-5-3-4-6(8(7)10)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-(3-ethoxy-2-fluorophenyl)-
  • Boronic acid, (3-ethoxy-2-fluorophenyl)-
  • B-(3-Ethoxy-2-fluorophenyl)boronic acid
  • 3-Ethoxy-2-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Work with 3-Ethoxy-2-fluorophenylboronic 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 acid212386-71-574 % similar (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid909122-50-571 % similar (2-Ethoxyphenyl)boronic acid213211-69-968 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-464 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-659 % similar 1-Ethoxy-2,3-difluorobenzene121219-07-658 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-251 % similar (2,3-Difluorophenyl)boronic acid121219-16-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethoxy-3-fluorophenylboronic acid279263-10-4 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-2 3-Ethoxy-4-fluorobenzeneboronic acid900174-65-4

Elsewhere

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