CAS 5111-65-9|2-bromo-6-methoxynaphthalene|2-Bromo-6-methoxynaphthalene|2-bromo-6-methoxynaphthalene|2-Bromo-6-methoxynaphthalene|2-溴-6-甲氧基萘|Naproxen Impurity N|2-Bromo-6-methoxynaphthalene (Na...

General Information

Structure

Molecular Formula

C₁₁H₉BrO

Molecular Mass

237.09256

Exact Mass

235.98367691

Charge

InChI

InChI=1S/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3

InChIKey

AYFJBMBVXWNYLT-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)ccc(c2)Br

Isomeric Smiles

c1c(ccc2cc(ccc12)OC)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.573804

LogD (pH = 7.4)

3.573804

Log P

3.573804

Molar Refractivity

56.5942

Polarizability

23.007607

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromo-6-methoxynaphthalene

Synonyms

2-Bromo-6-methoxynaphthalene2-Bromo-6-methoxynaphthalene2-溴-6-甲氧基萘2-Bromo-6-methoxynaphthalene (Naproxen Impurity N)Naproxen Impurity N6-Methoxy-2-bromonaphthalene2-Methoxy-6-bromonaphthaleneNSC 3236

IUPAC Traditional name

2-bromo-6-methoxynaphthalene

Names and Identifiers

Registration numbers

PubChem SID

2485196024850499162034543

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

200174

Packaging
10, 50 g in poly bottle

TRC

B684780

Naproxen Impurity N.

Molecule Details

References

PubChem Literature

From Data Sources

• Kearney, P., et al.: Br. Med. J., 332, 1302 (1977)

• Hamai, S., et al.: J. Phys. Chem., 99, 12109 (1977)

• Markku, A., et al.: J. Pharm. Sci., 66, 433 (1977)

• Undergoes highly efficient, phosphine-free Suzuki coupling reactions with arylboronic acids in water, catalyzed by Pd(II) acetate in the presence of TBAB and potassium carbonate: J. Org. Chem., 62, 7170 (1997).

References

Bioactivity

PubChem BioAssay

Bioactivity