(6-Ethoxynaphthalen-2-yl)boronic acid

C12H13BO3CAS 352525-98-5216.04 g/mol

Open in Covalent MOL file
OBOHOH
Boronic acidEther

Properties

Molecular formula
C12H13BO3
Molar mass
216.04 g/mol
Exact mass
216.0958 Da
logP
0.92Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
352525-98-5
SMILES
CCOc1ccc2cc(B(O)O)ccc2c1
InChIKey
INXXVGFSXYJGHI-UHFFFAOYSA-N
InChI
InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 6-Ethoxynaphthalen-2-yl boronic acid
  • Boronic acid, B-(6-ethoxy-2-naphthalenyl)-
  • Boronic acid, (6-ethoxy-2-naphthalenyl)-
  • B-(6-Ethoxy-2-naphthalenyl)boronic acid

Work with (6-Ethoxynaphthalen-2-yl)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

4-Ethoxyphenylboronic acid22237-13-471 % similar 3-Ethoxybenzeneboronic acid90555-66-168 % similar 6-Methoxy-2-naphthaleneboronic acid156641-98-462 % similar 2-Ethoxynaphthalene93-18-561 % similar 4-Ethoxy-2-methylphenylboronic acid313545-31-255 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-354 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-454 % similar 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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