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521093-90-3 molecular structure
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bromo(4-cyano-3-fluorophenyl)zinc

ChemBase ID: 99034
Molecular Formular: C7H3BrFNZn
Molecular Mass: 265.3878232
Monoisotopic Mass: 262.87243132
SMILES and InChIs

SMILES:
[Zn](c1cc(c(cc1)C#N)F)Br
Canonical SMILES:
Br[Zn]c1ccc(c(c1)F)C#N
InChI:
InChI=1S/C7H3FN.BrH.Zn/c8-7-4-2-1-3-6(7)5-9;;/h1,3-4H;1H;/q;;+1/p-1
InChIKey:
XVZFAWQUFSROKX-UHFFFAOYSA-M

Cite this record

CBID:99034 http://www.chembase.cn/molecule-99034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-cyano-3-fluorophenyl)zinc
IUPAC Traditional name
bromo(4-cyano-3-fluorophenyl)zinc
Synonyms
4-Cyano-3-fluorophenylzinc bromide 0.5M solution in THF
CAS Number
521093-90-3
MDL Number
MFCD02260164
PubChem SID
162085335
PubChem CID
2778521

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 2778521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1468  LogD (pH = 7.4) 2.1468 
Log P 2.1468  Molar Refractivity 40.1475 cm3
Polarizability 18.241688 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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