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6129-62-0 molecular structure
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2-bromo-2,3,3,3-tetrafluoropropanoyl fluoride

ChemBase ID: 6483
Molecular Formular: C3BrF5O
Molecular Mass: 226.927516
Monoisotopic Mass: 225.90526772
SMILES and InChIs

SMILES:
O=C(C(C(F)(F)F)(F)Br)F
Canonical SMILES:
FC(=O)C(C(F)(F)F)(Br)F
InChI:
InChI=1S/C3BrF5O/c4-2(6,1(5)10)3(7,8)9
InChIKey:
GHRAJKIIZHDCNR-UHFFFAOYSA-N

Cite this record

CBID:6483 http://www.chembase.cn/molecule-6483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-2,3,3,3-tetrafluoropropanoyl fluoride
IUPAC Traditional name
2-bromo-2,3,3,3-tetrafluoropropanoyl fluoride
Synonyms
2-Bromo-2,3,3,3-tetrafluoropropionyl fluoride
2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride 97%
CAS Number
6129-62-0
MDL Number
MFCD00153724
PubChem SID
160969790
PubChem CID
2736386

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736386 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1463878  LogD (pH = 7.4) 2.1463878 
Log P 2.1463878  Molar Refractivity 25.2805 cm3
Polarizability 9.76277 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
31-33°C expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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