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Compound FL0043

CAT: 0013-GTR19269686-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269686-05Size:50 mg
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Description
Compound FL0043, with CAS No. 1630906-51-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0043 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1630906-51-2
Purity
99.99% (May vary between batches)
Smiles
Cl.COc1cc (F) ccc1O[C@H]1C[C@H] (N) C1
Molecular Formula
C11H15ClFNO2
Molecular Weight
247.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

trans-3-(4-Fluoro-2-methoxyphenoxy)cyclobutanamine hydrochloride
CAS Number1630906-51-2
PubChem CID91800960
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)cyclobutan-1-amine;hydrochloride
Molecular FormulaC11H15ClFNO2
Molecular Weight247.69
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
COC1=C(C=CC(=C1)F)OC2CC(C2)N.Cl
InChI
InChI=1S/C11H14FNO2.ClH/c1-14-11-4-7(12)2-3-10(11)15-9-5-8(13)6-9;/h2-4,8-9H,5-6,13H2,1H3;1H
InChIKey
DCEJUCWVODQEBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-3-(4-Fluoro-2-methoxyphenoxy)cyclobutanamine hydrochloride
CAS: 1630906-51-2
CID: 91800960
Formula: C11H15ClFNO2
MW: 247.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass247.0775346
Monoisotopic Mass247.0775346
Topological Polar Surface Area44.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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