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359-21-7 molecular structure
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1,2-dibromo-1,2-difluoroethene

ChemBase ID: 100897
Molecular Formular: C2Br2F2
Molecular Mass: 221.8262064
Monoisotopic Mass: 219.83348044
SMILES and InChIs

SMILES:
F/C(=C(/Br)\F)/Br
Canonical SMILES:
F/C(=C(/Br)\F)/Br
InChI:
InChI=1S/C2Br2F2/c3-1(5)2(4)6
InChIKey:
HATFLOWGZBUEIE-UHFFFAOYSA-N

Cite this record

CBID:100897 http://www.chembase.cn/molecule-100897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-1,2-difluoroethene
IUPAC Traditional name
1,2-dibromo-1,2-difluoroethene
Synonyms
1,2-Dibromodifluoroethylene
CAS Number
359-21-7
MDL Number
MFCD09258943
PubChem SID
162087104
PubChem CID
14949594

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC9849 external link Add to cart Please log in.
Data Source Data ID
PubChem 14949594 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3403928  LogD (pH = 7.4) 2.3403928 
Log P 2.3403928  Molar Refractivity 46.7028 cm3
Polarizability 10.448009 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC9849 external link
Mixture of E/Z forms

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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