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Structure

5-Bromo-2-methoxyphenylboronic acid

CAS
89694-45-1
Catalog Number
ACM89694451
Category
Boronic Acids
Molecular Weight
230.85
Molecular Formula
C7H8BBrO3

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Specification

Synonyms
5-Bromo-2-methoxyphenylboronic acid, 89694-45-1, (5-bromo-2-methoxyphenyl)boronic acid, AC1NCF0H, ACMC-209r2g, SureCN1235272, 512702_ALDRICH, CTK5G3397, MolPort-001-757-312, ANW-39350, OR1332, 4-BROMOANISOLE-2-BORONIC ACID, AKOS015834776, AB03344, QC-1528, (5-Bromo-2-methoxy)benzeneboronic acid, AC-16337, AK-36794, BP-11424, KB-42122
IUPAC Name
(5-bromo-2-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)Br)OC)(O)O
InChI Key
FVRLSHRAYPFXRQ-UHFFFAOYSA-N
Boiling Point
378.4ºC at 760 mmHg
Melting Point
130-135ºC(lit.)
Flash Point
182.7ºC
Density
1.61g/cm³
Exact Mass
229.97500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
26-36
WGK Germany
3
What is the molecular formula of 5-Bromo-2-methoxyphenylboronic acid?

The molecular formula of 5-Bromo-2-methoxyphenylboronic acid is C7H8BBrO3.

What is the molecular weight of 5-Bromo-2-methoxyphenylboronic acid?

The molecular weight of 5-Bromo-2-methoxyphenylboronic acid is 230.85 g/mol.

What is the IUPAC name of 5-Bromo-2-methoxyphenylboronic acid?

The IUPAC name of 5-Bromo-2-methoxyphenylboronic acid is (5-bromo-2-methoxyphenyl)boronic acid.

What is the InChI of 5-Bromo-2-methoxyphenylboronic acid?

The InChI of 5-Bromo-2-methoxyphenylboronic acid is InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3.

What is the InChIKey of 5-Bromo-2-methoxyphenylboronic acid?

The InChIKey of 5-Bromo-2-methoxyphenylboronic acid is FVRLSHRAYPFXRQ-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-methoxyphenylboronic acid?

The canonical SMILES of 5-Bromo-2-methoxyphenylboronic acid is B(C1=C(C=CC(=C1)Br)OC)(O)O.

What is the CAS number of 5-Bromo-2-methoxyphenylboronic acid?

The CAS number of 5-Bromo-2-methoxyphenylboronic acid is 89694-45-1.

What is the EC number of 5-Bromo-2-methoxyphenylboronic acid?

The EC number of 5-Bromo-2-methoxyphenylboronic acid is 627-323-5.

What is the DSSTox Substance ID of 5-Bromo-2-methoxyphenylboronic acid?

The DSSTox Substance ID of 5-Bromo-2-methoxyphenylboronic acid is DTXSID20404006.

Is 5-Bromo-2-methoxyphenylboronic acid a canonicalized compound?

Yes, 5-Bromo-2-methoxyphenylboronic acid is a canonicalized compound.

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