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253429-31-1 molecular structure
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7-bromo-4-fluoro-1-benzofuran

ChemBase ID: 96975
Molecular Formular: C8H4BrFO
Molecular Mass: 215.0191632
Monoisotopic Mass: 213.94295497
SMILES and InChIs

SMILES:
o1c2c(ccc(c2cc1)F)Br
Canonical SMILES:
Fc1ccc(c2c1cco2)Br
InChI:
InChI=1S/C8H4BrFO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
InChIKey:
IYRKPHRAECMQTJ-UHFFFAOYSA-N

Cite this record

CBID:96975 http://www.chembase.cn/molecule-96975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-4-fluoro-1-benzofuran
IUPAC Traditional name
7-bromo-4-fluoro-1-benzofuran
Synonyms
7-bromo-4-fluoro-1-benzofuran
7-Bromo-4-fluorobenzo[b]furan
CAS Number
253429-31-1
MDL Number
MFCD09056781
PubChem SID
162083611
PubChem CID
22144769

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22144769 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0438237  LogD (pH = 7.4) 3.0438237 
Log P 3.0438237  Molar Refractivity 42.7383 cm3
Polarizability 17.244558 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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