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6521-33-1 molecular structure
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(E)-N-methylfuran-2-carbonimidoyl chloride

ChemBase ID: 250351
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
c1(/C(=N\C)/Cl)occc1
Canonical SMILES:
C/N=C(\c1ccco1)/Cl
InChI:
InChI=1S/C6H6ClNO/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3/b8-6+
InChIKey:
UHTJFEFITNPRJZ-SOFGYWHQSA-N

Cite this record

CBID:250351 http://www.chembase.cn/molecule-250351.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-methylfuran-2-carbonimidoyl chloride
IUPAC Traditional name
(E)-N-methylfuran-2-carbonimidoyl chloride
Synonyms
N-methylfuran-2-carboximidoyl chloride
CAS Number
6521-33-1
MDL Number
MFCD07345653
PubChem SID
164306261
PubChem CID
7130961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14636 external link Add to cart Please log in.
Data Source Data ID
PubChem 7130961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4606816  LogD (pH = 7.4) 1.4607419 
Log P 1.4607426  Molar Refractivity 36.5174 cm3
Polarizability 13.487681 Å3 Polar Surface Area 25.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
215 - 220°C expand Show data source
Hydrophobicity(logP)
1.927 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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