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1203796-58-0 molecular structure
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3-(4-fluorophenyl)azetidine

ChemBase ID: 169185
Molecular Formular: C9H10FN
Molecular Mass: 151.1808032
Monoisotopic Mass: 151.07972755
SMILES and InChIs

SMILES:
C1(CNC1)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)C1CNC1
InChI:
InChI=1S/C9H10FN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKey:
BGOBDSPEJCPSDK-UHFFFAOYSA-N

Cite this record

CBID:169185 http://www.chembase.cn/molecule-169185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-fluorophenyl)azetidine
IUPAC Traditional name
3-(4-fluorophenyl)azetidine
Synonyms
3-(p-Fluorophenyl)azetidine
3-(4-Fluorophenyl)azetidine
CAS Number
1203796-58-0
PubChem SID
162263317
PubChem CID
55250938

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F595310 external link Add to cart
PubChem 55250938 external link
Data Source Data ID Price
TRC
F595310 external link Add to cart Please log in.
Data Source Data ID
PubChem 55250938 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7673866  LogD (pH = 7.4) -1.0616821 
Log P 1.4513857  Molar Refractivity 42.3176 cm3
Polarizability 16.218943 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F595310 external link
A 3-phenylazetidine derivative.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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