(3-Bromophenyl)boronic Acid (C6H6BBrO2)

(3-bromophenyl)boronic Acid presents a C6 framework, aromatic rings, halogen substitution (formula C6H6BBrO2, CAS 89598-96-9). ChemicalTool Reaction can propose ranked disconnections for (3-bromophenyl)boronic Acid from the SMILES OB(O)c1cccc(Br)c1.

Target: (3-Bromophenyl)boronic Acid
CAS: 89598-96-9
Formula: C6H6BBrO2
SMILES: OB(O)c1cccc(Br)c1
PubChem CID: 2734318
Approx. carbons: C6

(3-Bromophenyl)boronic Acid structure

Properties

IUPAC name: (3-bromophenyl)boronic acid
Common names: (3-bromophenyl)boronic Acid; RefChem:400002; 677-281-7; 3-Bromophenylboronic acid; 89598-96-9; 3-Bromobenzeneboronic Acid; 3-Bromophenylboronicacid; 3-Bromophenyl boronic acid; 3-Bromophenylboronic; 3-borophenylboronic acid
Molecular weight: 200.83
Exact mass: 199.96
InChIKey: AFSSVCNPDKKSRR-UHFFFAOYSA-N

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(3-Bromophenyl)boronic Acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of (3-Bromophenyl)boronic Acid?

(3-Bromophenyl)boronic Acid has molecular formula C6H6BBrO2.

What is the CAS number of (3-Bromophenyl)boronic Acid?

The CAS Registry Number for (3-Bromophenyl)boronic Acid is 89598-96-9.

Run AI retrosynthesis for (3-Bromophenyl)boronic Acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H6BBrO2.

Related targets

Similar compounds

1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene 1-Bromo-4-iodobenzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.