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438617-12-0 molecular structure
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5-bromo-N-butylfuran-2-carboxamide

ChemBase ID: 311446
Molecular Formular: C9H12BrNO2
Molecular Mass: 246.10108
Monoisotopic Mass: 245.00514063
SMILES and InChIs

SMILES:
c1(oc(cc1)Br)C(=O)NCCCC
Canonical SMILES:
CCCCNC(=O)c1ccc(o1)Br
InChI:
InChI=1S/C9H12BrNO2/c1-2-3-6-11-9(12)7-4-5-8(10)13-7/h4-5H,2-3,6H2,1H3,(H,11,12)
InChIKey:
WLCPRUVNDNMRCP-UHFFFAOYSA-N

Cite this record

CBID:311446 http://www.chembase.cn/molecule-311446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-butylfuran-2-carboxamide
IUPAC Traditional name
5-bromo-N-butylfuran-2-carboxamide
Synonyms
5-bromo-N-butyl-2-furamide
CAS Number
438617-12-0
MDL Number
MFCD01354349

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.900816  LogD (pH = 7.4) 1.9008157 
Log P 1.900816  Molar Refractivity 53.7024 cm3
Polarizability 20.411257 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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