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31136-79-5 molecular structure
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5-bromo-N,N-dimethylfuran-2-carboxamide

ChemBase ID: 311943
Molecular Formular: C7H8BrNO2
Molecular Mass: 218.04792
Monoisotopic Mass: 216.9738405
SMILES and InChIs

SMILES:
c1(C(=O)N(C)C)oc(cc1)Br
Canonical SMILES:
CN(C(=O)c1ccc(o1)Br)C
InChI:
InChI=1S/C7H8BrNO2/c1-9(2)7(10)5-3-4-6(8)11-5/h3-4H,1-2H3
InChIKey:
YCJKKQRKIVZSLB-UHFFFAOYSA-N

Cite this record

CBID:311943 http://www.chembase.cn/molecule-311943.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N,N-dimethylfuran-2-carboxamide
IUPAC Traditional name
5-bromo-N,N-dimethylfuran-2-carboxamide
Synonyms
5-bromo-N,N-dimethyl-2-furamide
CAS Number
31136-79-5
MDL Number
MFCD06093354

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 7321001 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.800593  LogD (pH = 7.4) 0.800593 
Log P 0.800593  Molar Refractivity 44.7255 cm3
Polarizability 16.819798 Å3 Polar Surface Area 33.45 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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