CAS 110407-59-5|1-bromo-2-chloro-4-fluorobenzene|1-bromo-2-chloro-4-fluorobenzene|4-Bromo-3-chlorofluorobenzene|2-Chloro-4-fluorobromobenzene 98+%|1-Bromo-2-chloro-4-fluorobenzene|2-Chloro-4-fluorob...

General Information

Structure

Molecular Formula

C₆H₃BrClF

Molecular Mass

209.4434232

Exact Mass

207.909068

Charge

InChI

InChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H

InChIKey

LEFQPBAWVJEIJS-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)Cl)Br

Isomeric Smiles

c1(cc(c(cc1)Br)Cl)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.488745

LogD (pH = 7.4)

3.488745

Log P

3.488745

Molar Refractivity

38.702

Polarizability

14.9632015

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-bromo-2-chloro-4-fluorobenzene

IUPAC Traditional name

1-bromo-2-chloro-4-fluorobenzene

Synonyms

4-Bromo-3-chlorofluorobenzene2-Chloro-4-fluorobromobenzene 98+%1-Bromo-2-chloro-4-fluorobenzene2-Chloro-4-fluorobromobenzene1-溴-2-氯-4-氟苯1-Bromo-2-chloro-4-fluorobenzene

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Product Information

Purity

98%

Physical Property

Refractive Index

1.5520

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

1-bromo-2-chloro-4-fluorobenzene

IUPAC Traditional name

1-bromo-2-chloro-4-fluorobenzene

Synonyms

4-Bromo-3-chlorofluorobenzene2-Chloro-4-fluorobromobenzene 98+%1-Bromo-2-chloro-4-fluorobenzene2-Chloro-4-fluorobromobenzene1-溴-2-氯-4-氟苯1-Bromo-2-chloro-4-fluorobenzene

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Properties