3-(Benzyloxy)-4-methylphenylboronic acid

CAS
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CAS
1256355-31-3
Size
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Purity
98%
Price
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Catalog Number

ACM1256355313

Product Name

3-(Benzyloxy)-4-methylphenylboronic acid

Structure

Structure

CAS

1256355-31-3

Category

Heterocyclic Organic Compound

Synonyms

3-(BENZYLOXY)-4-METHYLPHENYLBORONIC ACID, 1256355-31-3, ACMC-209ayo, CTK4B4603, ANW-18478, AKOS015839479, AG-L-21593, AK-61548, KB-27433, 3-(Benzyloxy)-4-methylphenylboronic acid,, (3-(Benzyloxy)-4-methylphenyl)boronic acid, X1926, B-3482, I04-2171

IUPAC Name

(4-methyl-3-phenylmethoxyphenyl)boronic acid

Molecular Weight

242.1

Molecular Formula

C₁₄H₁₅BO₃

Canonical SMILES

B(C1=CC(=C(C=C1)C)OCC2=CC=CC=C2)(O)O

InChI Key

NJDWFMZIGIGFTM-UHFFFAOYSA-N

Exact Mass

242.11100

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3-(Benzyloxy)-4-methylphenylboronic acid?

The molecular formula is C14H15BO3.

What is the molecular weight of 3-(Benzyloxy)-4-methylphenylboronic acid?

The molecular weight is 242.08 g/mol.

What is the IUPAC name of 3-(Benzyloxy)-4-methylphenylboronic acid?

The IUPAC name is (4-methyl-3-phenylmethoxyphenyl)boronic acid.

What is the InChI of 3-(Benzyloxy)-4-methylphenylboronic acid?

The InChI is InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3.

What is the InChIKey of 3-(Benzyloxy)-4-methylphenylboronic acid?

The InChIKey is NJDWFMZIGIGFTM-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Benzyloxy)-4-methylphenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)C)OCC2=CC=CC=C2)(O)O.

What is the CAS number of 3-(Benzyloxy)-4-methylphenylboronic acid?

The CAS number is 1256355-31-3.

How many hydrogen bond donor counts does 3-(Benzyloxy)-4-methylphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-(Benzyloxy)-4-methylphenylboronic acid have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-(Benzyloxy)-4-methylphenylboronic acid have?

It has 4 rotatable bond counts.

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