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884588-32-3 molecular structure
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4-(chloromethyl)-5-ethylfuran-2-carboxamide

ChemBase ID: 312607
Molecular Formular: C8H10ClNO2
Molecular Mass: 187.6235
Monoisotopic Mass: 187.04000625
SMILES and InChIs

SMILES:
c1(oc(c(c1)CCl)CC)C(=O)N
Canonical SMILES:
CCc1oc(cc1CCl)C(=O)N
InChI:
InChI=1S/C8H10ClNO2/c1-2-6-5(4-9)3-7(12-6)8(10)11/h3H,2,4H2,1H3,(H2,10,11)
InChIKey:
LPXVPLIGHNFQSZ-UHFFFAOYSA-N

Cite this record

CBID:312607 http://www.chembase.cn/molecule-312607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)-5-ethylfuran-2-carboxamide
IUPAC Traditional name
4-(chloromethyl)-5-ethylfuran-2-carboxamide
Synonyms
4-(chloromethyl)-5-ethyl-2-furamide
CAS Number
884588-32-3
MDL Number
MFCD05858887

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) 1.1934586  LogD (pH = 7.4) 1.1934587 
Log P 1.1934586  Molar Refractivity 47.0679 cm3
Polarizability 17.397163 Å3 Polar Surface Area 56.23 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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