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201849-13-0 molecular structure
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1-bromo-3-chloro-2,4-difluorobenzene

ChemBase ID: 100323
Molecular Formular: C6H2BrClF2
Molecular Mass: 227.4338864
Monoisotopic Mass: 225.89964618
SMILES and InChIs

SMILES:
Brc1c(c(c(cc1)F)Cl)F
Canonical SMILES:
Brc1ccc(c(c1F)Cl)F
InChI:
InChI=1S/C6H2BrClF2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H
InChIKey:
LVPMWOPCTHLVRH-UHFFFAOYSA-N

Cite this record

CBID:100323 http://www.chembase.cn/molecule-100323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-3-chloro-2,4-difluorobenzene
IUPAC Traditional name
1-bromo-3-chloro-2,4-difluorobenzene
Synonyms
1-Bromo-3-chloro-2,4-difluorobenzene
3-Chloro-2,4-difluorobromobenzene
1-Bromo-3-chloro-2,4-difluorobenzene
CAS Number
201849-13-0
MDL Number
MFCD00142590
PubChem SID
162086296
PubChem CID
2773256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.631447  LogD (pH = 7.4) 3.631447 
Log P 3.631447  Molar Refractivity 38.9184 cm3
Polarizability 14.935145 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Flash Point
>110°C expand Show data source
Density
1.8 expand Show data source
Storage Warning
Irritant/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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