9-Phenanthracenylboronic acid

C14H11BO2CAS 68572-87-2222.05 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C14H11BO2
Molar mass
222.05 g/mol
Exact mass
222.0852 Da
logP
1.67Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
68572-87-2
SMILES
B(C1=CC2=CC=CC=C2C3=CC=CC=C13)(O)O
InChIKey
JCDAUYWOHOLVMH-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H

Weigh it out

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

Work with 9-Phenanthracenylboronic 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

1-Naphthylboronic acid13922-41-357 % similar 4-Isoquinolineboronic acid192182-56-250 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-647 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-447 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-647 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-447 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-847 % similar 4-Phenylnaphthalene-1-boronic Acid372521-91-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Anthraceneboronic acid100622-34-2 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook