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1203798-86-0 molecular structure
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3-(3-chlorophenyl)azetidine

ChemBase ID: 164499
Molecular Formular: C9H10ClN
Molecular Mass: 167.6354
Monoisotopic Mass: 167.05017701
SMILES and InChIs

SMILES:
C1(CNC1)c1cccc(c1)Cl
Canonical SMILES:
Clc1cccc(c1)C1CNC1
InChI:
InChI=1S/C9H10ClN/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKey:
FQHRLOXZZSLYRR-UHFFFAOYSA-N

Cite this record

CBID:164499 http://www.chembase.cn/molecule-164499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-chlorophenyl)azetidine
IUPAC Traditional name
3-(3-chlorophenyl)azetidine
Synonyms
3-(3-Chlorophenyl)azetidine
CAS Number
1203798-86-0
PubChem SID
162258634
PubChem CID
70222831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C377545 external link Add to cart
PubChem 70222831 external link
Data Source Data ID Price
TRC
C377545 external link Add to cart Please log in.
Data Source Data ID
PubChem 70222831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3043612  LogD (pH = 7.4) -0.5748662 
Log P 1.9127285  Molar Refractivity 46.906 cm3
Polarizability 18.430187 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 - C377545 external link
A 3-phenylazetidine derivative.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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