chempirical

(2-Bromophenyl)boronic acid

C6H6BBrO2CAS 244205-40-1200.83 g/mol

Open in Covalent MOL file
BBrHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C6H6BBrO2
Molar mass
200.83 g/mol
Exact mass
199.9644 Da
logP
0.13Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
244205-40-1
SMILES
B(C1=CC=CC=C1Br)(O)O
InChIKey
PLVCYMZAEQRYHJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H

Weigh it out

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Names and synonyms

1 names
  • 2-Bromophenylboronic acid

Work with (2-Bromophenyl)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

4-Bromo-1-naphthaleneboronic Acid145965-14-659 % similar (3-Bromo-2-fluorophenyl)boronic acid352535-97-859 % similar 2-Methylphenylboronic acid16419-60-650 % similar 2-Fluorophenylboronic acid1993-03-950 % similar 2-Chlorophenylboronic acid3900-89-850 % similar B-(2-Aminophenyl)boronic acid5570-18-350 % similar [4-Bromo-2,3-difluorophenyl]boronic acid374790-99-548 % similar 2-Bromopyridin-3-ylboronic acid452972-08-648 % similar

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

Same formula

(4-Bromophenyl)boronic acid5467-74-3

Elsewhere

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