CAS
959237-87-7 Purity
96%
959237-87-7 Purity
96%
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2-(4-Fluorophenyl)azetidine
CAS
959238-17-6
Catalog Number
ACM959238176
Category
Other Products
Molecular Weight
151.180803 [g/mol]
Molecular Formula
C9H10FN
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Specification
Synonyms
2-(4-Fluorophenyl)azetidine, SBB027127, 959238-17-6, SureCN10153581, CTK5H8361, AKOS013153140, AG-H-94393, MCULE-5158391424, QC-7422, AK118099, ST099043
IUPAC Name
2-(4-fluorophenyl)azetidine
Canonical SMILES
C1CNC1C2=CC=C(C=C2)F
InChI Key
LWSFAJGOENYINQ-UHFFFAOYSA-N
Boiling Point
214.4ºC at 760 mmHg
Flash Point
83.4ºC
Density
1.116g/cm³
Exact Mass
151.08000
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-(4-Fluorophenyl)azetidine?
The molecular formula is C9H10FN.
When was the structure of 2-(4-Fluorophenyl)azetidine created and modified?
The structure was created on July 20, 2009, and modified on December 30, 2023.
What is the IUPAC Name of 2-(4-Fluorophenyl)azetidine?
The IUPAC Name is 2-(4-fluorophenyl)azetidine.
What is the InChIKey of 2-(4-Fluorophenyl)azetidine?
The InChIKey is LWSFAJGOENYINQ-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(4-Fluorophenyl)azetidine?
The Canonical SMILES is C1CNC1C2=CC=C(C=C2)F.
What is the exact mass of 2-(4-Fluorophenyl)azetidine?
The exact mass is 151.079727485 g/mol.
How many hydrogen bond donor counts are there in 2-(4-Fluorophenyl)azetidine?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 2-(4-Fluorophenyl)azetidine?
The topological polar surface area is 122.
How many rotatable bond counts are there in 2-(4-Fluorophenyl)azetidine?
There is 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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