chempirical

Benzofuran-5-boronic acid

C8H7BO3CAS 331834-13-0161.95 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acid

Properties

Molecular formula
C8H7BO3
Molar mass
161.95 g/mol
Exact mass
162.0488 Da
logP
0.11Crippen estimate
Polar surface area
53.6 Ų
H-bond donors / acceptors
2 / 3
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
331834-13-0
SMILES
B(C1=CC2=C(C=C1)OC=C2)(O)O
InChIKey
WYXQQAYIAJRORT-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H

Weigh it out

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

Names and synonyms

1 names
  • (1-Benzofuran-5-yl)boronic acid

Work with Benzofuran-5-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

5-Benzofuranol13196-10-653 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran519054-55-853 % similar 5-Bromo-1-benzofuran23145-07-548 % similar 2-Naphthylboronic acid32316-92-047 % similar Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-646 % similar 5-Methoxybenzofuran13391-28-145 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-845 % similar 1-Benzofuran-5-carbaldehyde10035-16-244 % similar

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

Same formula

Benzofuran-3-boronic acid317830-83-4 Benzofuran-2-boronic acid98437-24-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook