2-Anthraceneboronic Acid (contains varying amounts of Anhydride)

C14H11BO2CAS 141981-64-8222.05 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 2 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
141981-64-8
SMILES
B(C1=CC2=CC3=CC=CC=C3C=C2C=C1)(O)O
InChIKey
PKWBMOXZIMVOJT-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,16-17H

Weigh it out

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

Names and synonyms

1 names
  • 2-Anthraceneboronic acid

Work with 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)

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-Naphthylboronic acid32316-92-086 % similar (6-Phenylnaphthalen-2-yl)boronic acid876442-90-964 % similar 4-(2-Naphthyl)phenylboronic Acid918655-03-564 % similar B-(6-Hydroxy-2-naphthalenyl)boronic acid173194-95-159 % similar 3-(Naphthalene-2-yl)phenylboronic acid870774-29-157 % similar 1,3-Benzenediboronic acid4612-28-654 % similar Pentacene135-48-852 % similar Tetracene92-24-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Anthraceneboronic acid100622-34-2 9-Phenanthracenylboronic acid68572-87-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook