4-bromo-1,2-dichloro-1,1,2-trifluorobutane|1-Bromo-3,4-dichloro-3,4,4-trifluorobutane|4-bromo-1,2-dichloro-1,1,2-trifluorobutane|4-Bromo-1,2-dichloro-1,1,2-trifluorobutane 97%

General Information

Structure

Molecular Formula

C₄H₄BrCl₂F₃

Molecular Mass

259.8797696

Exact Mass

257.88255215

Charge

InChI

InChI=1S/C4H4BrCl2F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2

InChIKey

ZKLSXROKZJZFCB-UHFFFAOYSA-N

Canonic Smiles

BrCCC(C(Cl)(F)F)(Cl)F

Isomeric Smiles

BrCCC(C(Cl)(F)F)(F)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.5876658

LogD (pH = 7.4)

3.5876658

Log P

3.5876658

Molar Refractivity

38.619

Polarizability

14.828203

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-bromo-1,2-dichloro-1,1,2-trifluorobutane

Synonyms

1-Bromo-3,4-dichloro-3,4,4-trifluorobutane4-Bromo-1,2-dichloro-1,1,2-trifluorobutane 97%

IUPAC name

4-bromo-1,2-dichloro-1,1,2-trifluorobutane

Names and Identifiers

Registration numbers

PubChem CID

2736251

PubChem SID

162080836

MDL Number

MFCD00792408

Registration numbers

Properties

Physical Property

Boiling Point

44-45°C/10mm

Safety Information

Storage Warning

Irritant

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

Properties

• Physical Property

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:94181