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263333-82-0 molecular structure
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2-bromo-1,3-dichloro-5-fluorobenzene

ChemBase ID: 52997
Molecular Formular: C6H2BrCl2F
Molecular Mass: 243.8884832
Monoisotopic Mass: 241.87009564
SMILES and InChIs

SMILES:
c1(cc(c(c(c1)Cl)Br)Cl)F
Canonical SMILES:
Fc1cc(Cl)c(c(c1)Cl)Br
InChI:
InChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKey:
OSXAPJFZNJFFJS-UHFFFAOYSA-N

Cite this record

CBID:52997 http://www.chembase.cn/molecule-52997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1,3-dichloro-5-fluorobenzene
IUPAC Traditional name
2-bromo-1,3-dichloro-5-fluorobenzene
Synonyms
2-Bromo-1,3-dichloro-5-fluorobenzene
4-Bromo-3,5-dichlorofluorobenzene
CAS Number
263333-82-0
MDL Number
MFCD11845890
PubChem SID
162057760
PubChem CID
21198143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21198143 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0927896  LogD (pH = 7.4) 4.0927896 
Log P 4.0927896  Molar Refractivity 43.5068 cm3
Polarizability 16.991888 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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