3-((4-Fluorophenoxy)methyl)azetidine Hydrochloride - CAS 1864057-70-4

Catalog:	BB065366
Product Name:	3-((4-Fluorophenoxy)methyl)azetidine Hydrochloride
CAS:	1864057-70-4
Synonyms:	3-[(4-Fluorophenoxy)methyl]azetidine hydrochloride; 3-((4-fluorophenoxy)methyl)azetidine hydrochloride; 3-[(4-fluorophenoxy)methyl]azetidine; hydrochloride; 3-((4-fluorophenoxy)methyl)azetidinehydrochloride

Technical Data

IUPAC Name:	3-[(4-fluorophenoxy)methyl]azetidinehydrochloride
Description:	3-((4-Fluorophenoxy)methyl)azetidine Hydrochloride is a salt analog of 3-((4-Fluorophenoxy)methyl)azetidine (CAS# 954224-21-6), which can be useful in HTS- based discovery and optimization of novel positive allosteric modulators of the α7 nicotinic acetylcholine receptor.
Molecular Weight:	217.67
Molecular Formula:	C10H12FNO·HCl
Canonical SMILES:	C1C(CN1)COC2=CC=C(C=C2)F.Cl
InChI:	InChI=1S/C10H12FNO.ClH/c11-9-1-3-10(4-2-9)13-7-8-5-12-6-8/h1-4,8,12H,5-7H21H
InChI Key:	CIFDRJVFRCXFTC-UHFFFAOYSA-N
References:	Ledneczki, I., et al. Eur. J. Med. Chem., 222, 113560 (2021).

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.0669699
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.0669699
Rotatable Bond Count:	3
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0