4-Bromo-1-naphthaleneboronic Acid

C₁₀H₈BBrO₂CAS 145965-14-6250.89 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₀H₈BBrO₂
Molar mass: 250.89 g/mol
Exact mass: 249.9801 Da
logP: 1.28Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

145965-14-6

SMILES

B(C1=CC=C(C2=CC=CC=C12)Br)(O)O

InChIKey

DKKOMUVRCPKTFX-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BBrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H

Weigh it out

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

Names and synonyms

1 names

Boronic acid, (4-bromo-1-naphthalenyl)- (9ci)

Work with 4-Bromo-1-naphthaleneboronic 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-Bromophenyl)boronic acid244205-40-159 % similar 1,4-Dibromonaphthalene83-53-458 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-455 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-455 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-855 % similar 4-Phenylnaphthalene-1-boronic Acid372521-91-053 % similar 1-Naphthylboronic acid13922-41-350 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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