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MFCD00153742 molecular structure
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2-chloro-2,2-difluoroacetyl bromide

ChemBase ID: 100534
Molecular Formular: C2BrClF2O
Molecular Mass: 193.3746064
Monoisotopic Mass: 191.87891074
SMILES and InChIs

SMILES:
O=C(Br)C(F)(F)Cl
Canonical SMILES:
BrC(=O)C(Cl)(F)F
InChI:
InChI=1S/C2BrClF2O/c3-1(7)2(4,5)6
InChIKey:
VQNGCPSKHQJKSJ-UHFFFAOYSA-N

Cite this record

CBID:100534 http://www.chembase.cn/molecule-100534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-2,2-difluoroacetyl bromide
IUPAC Traditional name
2-chloro-2,2-difluoroacetyl bromide
Synonyms
Chlorodifluoroacetyl bromide
MDL Number
MFCD00153742
PubChem SID
162086975
PubChem CID
2736493

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 2736493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.799052  LogD (pH = 7.4) 1.799052 
Log P 1.799052  Molar Refractivity 24.9461 cm3
Polarizability 9.717154 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
93-94°C expand Show data source
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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