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31136-78-4 molecular structure
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5-bromo-N-methylfuran-2-carboxamide

ChemBase ID: 311945
Molecular Formular: C6H6BrNO2
Molecular Mass: 204.02134
Monoisotopic Mass: 202.95819044
SMILES and InChIs

SMILES:
c1(oc(cc1)Br)C(=O)NC
Canonical SMILES:
CNC(=O)c1ccc(o1)Br
InChI:
InChI=1S/C6H6BrNO2/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
InChIKey:
QMUCVHLODHSPLZ-UHFFFAOYSA-N

Cite this record

CBID:311945 http://www.chembase.cn/molecule-311945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-methylfuran-2-carboxamide
IUPAC Traditional name
5-bromo-N-methylfuran-2-carboxamide
Synonyms
5-bromo-N-methyl-2-furamide
CAS Number
31136-78-4
MDL Number
MFCD06093352

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) 0.57691693  LogD (pH = 7.4) 0.5769167 
Log P 0.57691693  Molar Refractivity 39.8288 cm3
Polarizability 15.03658 Å3 Polar Surface Area 42.24 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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