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23779-17-1 molecular structure
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N-(4-iodophenyl)cyclopropanecarboxamide

ChemBase ID: 40626
Molecular Formular: C10H10INO
Molecular Mass: 287.09697
Monoisotopic Mass: 286.98071195
SMILES and InChIs

SMILES:
C(=O)(C1CC1)Nc1ccc(I)cc1
Canonical SMILES:
O=C(C1CC1)Nc1ccc(cc1)I
InChI:
InChI=1S/C10H10INO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKey:
OWRJMRAKRDWZHS-UHFFFAOYSA-N

Cite this record

CBID:40626 http://www.chembase.cn/molecule-40626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-iodophenyl)cyclopropanecarboxamide
IUPAC Traditional name
N-(4-iodophenyl)cyclopropanecarboxamide
Synonyms
N-(4-Iodophenyl)cyclopropanecarboxamide
N-(4-Iodophenyl)cyclopropanecarboxamide
N-(4-碘苯基)环丙烷基甲酰胺
CAS Number
23779-17-1
MDL Number
MFCD01327898
PubChem SID
162045389
PubChem CID
695702

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 695702 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.980984  H Acceptors
H Donor LogD (pH = 5.5) 2.9196968 
LogD (pH = 7.4) 2.9196968  Log P 2.9196968 
Molar Refractivity 61.6827 cm3 Polarizability 23.312555 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
214 - 216 °C expand Show data source
214-216°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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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