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MFCD04112557 molecular structure
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1-bromo-5-chloro-2,4-difluorobenzene

ChemBase ID: 100512
Molecular Formular: C6H2BrClF2
Molecular Mass: 227.4338864
Monoisotopic Mass: 225.89964618
SMILES and InChIs

SMILES:
Clc1c(cc(c(c1)Br)F)F
Canonical SMILES:
Fc1cc(F)c(cc1Cl)Br
InChI:
InChI=1S/C6H2BrClF2/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey:
DFZLCASDRZHHFT-UHFFFAOYSA-N

Cite this record

CBID:100512 http://www.chembase.cn/molecule-100512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-5-chloro-2,4-difluorobenzene
IUPAC Traditional name
1-bromo-5-chloro-2,4-difluorobenzene
Synonyms
1-Bromo-5-chloro-2,4-difluorobenzene
5-Chloro-2,4-difluorobromobenzene
MDL Number
MFCD04112557
PubChem SID
162087798
PubChem CID
44717751

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44717751 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 14.910632 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/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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