4-(Bromomethyl)phenylboronic acid

C₇H₈BBrO₂CAS 68162-47-0214.85 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid

Properties

Molecular formula: C₇H₈BBrO₂
Molar mass: 214.85 g/mol
Exact mass: 213.9801 Da
logP: 0.26Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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

68162-47-0

SMILES

B(C1=CC=C(C=C1)CBr)(O)O

InChIKey

PDNOURKEZJZJNZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2

Weigh it out

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Work with 4-(Bromomethyl)phenylboronic 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-(Hydroxymethyl)benzeneboronic acid59016-93-258 % similar 1,4-Benzenediboronic acid4612-26-457 % similar 1,4-Bis(bromomethyl)benzene623-24-557 % similar (4-Ethylphenyl)boronic acid63139-21-956 % similar (4-Propylphenyl)boronic acid134150-01-954 % similar 4-Butylphenylboronic acid145240-28-450 % similar (4-Isobutylphenyl)boronic acid153624-38-550 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar

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

Same formula

3-(Bromomethyl)phenylboronic acid51323-43-4 [2-(Bromomethyl)phenyl]boronic acid91983-14-1

Elsewhere

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