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1210002-70-2 molecular structure
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5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide

ChemBase ID: 308852
Molecular Formular: C8H10ClNO2
Molecular Mass: 187.6235
Monoisotopic Mass: 187.04000625
SMILES and InChIs

SMILES:
c1(C(=O)N(C)C)oc(cc1)CCl
Canonical SMILES:
ClCc1ccc(o1)C(=O)N(C)C
InChI:
InChI=1S/C8H10ClNO2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h3-4H,5H2,1-2H3
InChIKey:
VKDNRIDKLNGXIB-UHFFFAOYSA-N

Cite this record

CBID:308852 http://www.chembase.cn/molecule-308852.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide
IUPAC Traditional name
5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide
Synonyms
5-(chloromethyl)-N,N-dimethyl-2-furamide
CAS Number
1210002-70-2
MDL Number
MFCD13188560

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) 0.8387281  LogD (pH = 7.4) 0.8387281 
Log P 0.8387281  Molar Refractivity 47.0651 cm3
Polarizability 17.46924 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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INTERNET

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