chempirical

9-Anthraceneboronic acid

C14H11BO2CAS 100622-34-2222.05 g/mol

Open in Covalent MOL file
BOHHO
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

Identifiers

CAS number
100622-34-2
SMILES
B(C1=C2C=CC=CC2=CC3=CC=CC=C13)(O)O
InChIKey
VHHDLIWHHXBLBK-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,16-17H

Weigh it out

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

Work with 9-Anthraceneboronic 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-Methoxy-1-naphthyl)boronic acid104116-17-852 % similar 9,9′-Bianthryl1055-23-850 % similar 1-Naphthylboronic acid13922-41-350 % similar B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid400607-47-848 % similar 2-Naphthylboronic acid32316-92-046 % similar 9-Anthracenemethanol1468-95-745 % similar 9-Bromoanthracene1564-64-344 % similar Benz(A)anthracene56-55-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook