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545427-40-5 molecular structure
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5-bromo-N-(2-methoxyethyl)furan-2-carboxamide

ChemBase ID: 311936
Molecular Formular: C8H10BrNO3
Molecular Mass: 248.0739
Monoisotopic Mass: 246.98440519
SMILES and InChIs

SMILES:
c1(oc(cc1)Br)C(=O)NCCOC
Canonical SMILES:
COCCNC(=O)c1ccc(o1)Br
InChI:
InChI=1S/C8H10BrNO3/c1-12-5-4-10-8(11)6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKey:
RSOMADXUGQUNOJ-UHFFFAOYSA-N

Cite this record

CBID:311936 http://www.chembase.cn/molecule-311936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-(2-methoxyethyl)furan-2-carboxamide
IUPAC Traditional name
5-bromo-N-(2-methoxyethyl)furan-2-carboxamide
Synonyms
5-bromo-N-(2-methoxyethyl)-2-furamide
CAS Number
545427-40-5
MDL Number
MFCD03390744

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.52994144  LogD (pH = 7.4) 0.5299412 
Log P 0.52994144  Molar Refractivity 50.8723 cm3
Polarizability 19.398476 Å3 Polar Surface Area 51.47 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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