CAS 22002-45-5|3-Bromo-4-methoxytoluene|2-bromo-1-methoxy-4-methylbenzene|2-bromo-1-methoxy-4-methylbenzene|3-Bromo-4-methoxytoluene|2-Bromo-1-methoxy-4-methylbenzene|2-Bromo-4-methylanisole 98%|3-...

General Information

Structure

Molecular Formula

C₈H₉BrO

Molecular Mass

201.06046

Exact Mass

199.98367691

Charge

InChI

InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3

InChIKey

DHPUIKWBNXTXOB-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1Br)C

Isomeric Smiles

c1(c(cc(cc1)C)Br)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0977485

LogD (pH = 7.4)

3.0977485

Log P

3.0977485

Molar Refractivity

45.1852

Polarizability

17.400522

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-Bromo-4-methoxytoluene3-Bromo-4-methoxytoluene2-Bromo-1-methoxy-4-methylbenzene2-Bromo-4-methylanisole 98%3-溴-4-甲氧基甲苯2-Bromo-4-methylanisole2-溴-4-甲基苯甲醚

IUPAC Traditional name

2-bromo-1-methoxy-4-methylbenzene

IUPAC name

2-bromo-1-methoxy-4-methylbenzene

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

EC Number

Registration numbers

Properties

Product Information

Purity

99%

97%

Linear Formula

Br(CH3)C6H3OCH3

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

480835

Packaging
10 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

3-Bromo-4-methoxytoluene3-Bromo-4-methoxytoluene2-Bromo-1-methoxy-4-methylbenzene2-Bromo-4-methylanisole 98%3-溴-4-甲氧基甲苯2-Bromo-4-methylanisole2-溴-4-甲基苯甲醚

IUPAC Traditional name

2-bromo-1-methoxy-4-methylbenzene

IUPAC name

2-bromo-1-methoxy-4-methylbenzene

Registration numbers

PubChem CID

89143

PubChem SID

16097026424871722

CAS Number

22002-45-5

MDL Number