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25372-42-3 molecular structure
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1-(3-fluorophenyl)-1H-imidazole

ChemBase ID: 9683
Molecular Formular: C9H7FN2
Molecular Mass: 162.1636832
Monoisotopic Mass: 162.05932645
SMILES and InChIs

SMILES:
c1c(cc(cc1)n1cncc1)F
Canonical SMILES:
Fc1cccc(c1)n1cncc1
InChI:
InChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H
InChIKey:
SQJDRLQZCRNMQU-UHFFFAOYSA-N

Cite this record

CBID:9683 http://www.chembase.cn/molecule-9683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-fluorophenyl)-1H-imidazole
IUPAC Traditional name
1-(3-fluorophenyl)imidazole
Synonyms
1-(3-Fluorophenyl)imidazole
1-(3-Fluorophenyl)imidazole 99%
CAS Number
25372-42-3
MDL Number
MFCD00060486
PubChem SID
160972990
PubChem CID
2737472

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737472 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.75962657  LogD (pH = 7.4) 1.362485 
Log P 1.4004  Molar Refractivity 54.2228 cm3
Polarizability 17.063087 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
80°C/0.1mm expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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