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6132-37-2 molecular structure
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ethyl 5-bromofuran-2-carboxylate

ChemBase ID: 298121
Molecular Formular: C7H7BrO3
Molecular Mass: 219.03268
Monoisotopic Mass: 217.95785608
SMILES and InChIs

SMILES:
CCOC(=O)c1ccc(o1)Br
Canonical SMILES:
CCOC(=O)c1ccc(o1)Br
InChI:
InChI=1S/C7H7BrO3/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKey:
GVAPLPBPJARJEY-UHFFFAOYSA-N

Cite this record

CBID:298121 http://www.chembase.cn/molecule-298121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-bromofuran-2-carboxylate
IUPAC Traditional name
ethyl 5-bromofuran-2-carboxylate
Synonyms
Ethyl 5-bromofuran-2-carboxylate, 97+%
5-Bromo-2-furoic acid ethyl ester
Ethyl 5-bromo-2-furoate
ETHYL 5-BROMOFURAN-2-CARBOXYLATE
5-溴-2-糠酸乙酯
CAS Number
6132-37-2
MDL Number
MFCD00092362
PubChem SID
180683652
PubChem CID
345282

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 345282 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8628855  LogD (pH = 7.4) 1.8628855 
Log P 1.8628855  Molar Refractivity 42.6276 cm3
Polarizability 16.601658 Å3 Polar Surface Area 39.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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