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584-12-3 molecular structure
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2-bromofuran

ChemBase ID: 70478
Molecular Formular: C4H3BrO
Molecular Mass: 146.97002
Monoisotopic Mass: 145.93672672
SMILES and InChIs

SMILES:
o1c(ccc1)Br
Canonical SMILES:
Brc1ccco1
InChI:
InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H
InChIKey:
OYMCMWPHMPODNK-UHFFFAOYSA-N

Cite this record

CBID:70478 http://www.chembase.cn/molecule-70478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromofuran
IUPAC Traditional name
2-bromofuran
Synonyms
2-Bromofuran
2-Bromofuran, stabilized with Copper (0.1%), Furan (0.5%) and Sodium Hydrogen Carbonate (0.4%)
CAS Number
584-12-3
MDL Number
MFCD00216609
PubChem SID
162036194
PubChem CID
2776190

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5825994  LogD (pH = 7.4) 1.5825994 
Log P 1.5825994  Molar Refractivity 25.9762 cm3
Polarizability 10.2675295 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
52-54°C/180mm expand Show data source
Density
1.65 expand Show data source
Hydrophobicity(logP)
2.181 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Keep Cold/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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