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1221684-51-0 molecular structure
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2-bromo-1-ethenyl-4-fluorobenzene

ChemBase ID: 99427
Molecular Formular: C8H6BrF
Molecular Mass: 201.0356432
Monoisotopic Mass: 199.96369041
SMILES and InChIs

SMILES:
Fc1cc(c(cc1)C=C)Br
Canonical SMILES:
C=Cc1ccc(cc1Br)F
InChI:
InChI=1S/C8H6BrF/c1-2-6-3-4-7(10)5-8(6)9/h2-5H,1H2
InChIKey:
MNKVLFONYODHBB-UHFFFAOYSA-N

Cite this record

CBID:99427 http://www.chembase.cn/molecule-99427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1-ethenyl-4-fluorobenzene
IUPAC Traditional name
2-bromo-1-ethenyl-4-fluorobenzene
Synonyms
2-Bromo-4-fluoro-1-vinylbenzene
2-Bromo-1-ethenyl-4-fluorobenzene
2-Bromo-4-fluorostyrene
2-Bromo-4-fluoro-1-vinylbenzene
CAS Number
1221684-51-0
MDL Number
MFCD14892603
PubChem SID
162085695
PubChem CID
51342045

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 51342045 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6214025  LogD (pH = 7.4) 3.6214025 
Log P 3.6214025  Molar Refractivity 43.5835 cm3
Polarizability 16.345728 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Flammable/Light Sensitive/Keep Cold/Store under Argon expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC7068 external link
Stabilised with 4-tert-Butylcatechol

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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