Benzofuran-3-boronic acid

C₈H₇BO₃CAS 317830-83-4161.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇BO₃
Molar mass: 161.95 g/mol
Exact mass: 162.0488 Da
logP: 0.11Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

317830-83-4

SMILES

B(C1=COC2=CC=CC=C12)(O)O

InChIKey

DFUGYZQSDFQVPU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H

Weigh it out

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Names and synonyms

1 names

(1-Benzofuran-3-yl)boronic acid

Work with Benzofuran-3-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

Dibenzofuran-4-boronic acid100124-06-950 % similar B-1-Dibenzofuranylboronic acid162607-19-450 % similar 1-Naphthylboronic acid13922-41-345 % similar 3-Methylbenzofuran21535-97-745 % similar 3-Bromo-1-benzofuran59214-70-945 % similar 9-Phenanthracenylboronic acid68572-87-242 % similar Dibenzo[B,D]furan-3-ylboronic acid395087-89-542 % similar Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-642 % similar

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

Same formula

Benzofuran-5-boronic acid331834-13-0 Benzofuran-2-boronic acid98437-24-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook