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6134-61-8 molecular structure
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5-bromofuran-2-carboxamide

ChemBase ID: 38201
Molecular Formular: C5H4BrNO2
Molecular Mass: 189.99476
Monoisotopic Mass: 188.94254037
SMILES and InChIs

SMILES:
c1(ccc(o1)C(=O)N)Br
Canonical SMILES:
NC(=O)c1ccc(o1)Br
InChI:
InChI=1S/C5H4BrNO2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey:
VFDAOWISEQYGIF-UHFFFAOYSA-N

Cite this record

CBID:38201 http://www.chembase.cn/molecule-38201.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromofuran-2-carboxamide
IUPAC Traditional name
5-bromofuran-2-carboxamide
Synonyms
5-Bromo-2-furamide
CAS Number
6134-61-8
MDL Number
MFCD00020926
PubChem SID
161001508
PubChem CID
233581

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 233581 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.222723  H Acceptors
H Donor LogD (pH = 5.5) 0.35324088 
LogD (pH = 7.4) 0.35324144  Log P 0.35324088 
Molar Refractivity 34.9321 cm3 Polarizability 13.264435 Å3
Polar Surface Area 56.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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