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58471-32-2 molecular structure
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ethyl 4-bromofuran-2-carboxylate

ChemBase ID: 289437
Molecular Formular: C7H7BrO3
Molecular Mass: 219.03268
Monoisotopic Mass: 217.95785608
SMILES and InChIs

SMILES:
CCOC(=O)c1cc(Br)co1
Canonical SMILES:
CCOC(=O)c1cc(co1)Br
InChI:
InChI=1S/C7H7BrO3/c1-2-10-7(9)6-3-5(8)4-11-6/h3-4H,2H2,1H3
InChIKey:
AQMPODQTKHURHN-UHFFFAOYSA-N

Cite this record

CBID:289437 http://www.chembase.cn/molecule-289437.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-bromofuran-2-carboxylate
IUPAC Traditional name
ethyl 4-bromofuran-2-carboxylate
Synonyms
Ethyl 4-bromofuran-2-carboxylate
CAS Number
58471-32-2
PubChem SID
180674968
PubChem CID
58064765

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD220844 Please log in.
Data Source Data ID
PubChem 58064765 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.16253  LogD (pH = 7.4) 2.16253 
Log P 2.16253  Molar Refractivity 42.8456 cm3
Polarizability 16.543163 Å3 Polar Surface Area 39.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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