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Compound FL0143

CAT: 0013-GTR19269725-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269725-01Size:1 mg
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Description
Compound FL0143, with CAS No. 1349719-25-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0143 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
1349719-25-0
Purity
99.10% (May vary between batches)
Smiles
Cl.NC1 (COC1) c1cccc (c1) C (F) (F) F
Molecular Formula
C10H11ClF3NO
Molecular Weight
253.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(3-(Trifluoromethyl)phenyl)oxetan-3-amine hydrochloride
CAS Number1349719-25-0
PubChem CID56604186
IUPAC Name3-[3-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity237
SMILES
C1C(CO1)(C2=CC(=CC=C2)C(F)(F)F)N.Cl
InChI
InChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-2-7(4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKey
BWSTYOKWTPLJPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-(Trifluoromethyl)phenyl)oxetan-3-amine hydrochloride
CAS: 1349719-25-0
CID: 56604186
Formula: C10H11ClF3NO
MW: 253.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.65
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass253.0481262
Monoisotopic Mass253.0481262
Topological Polar Surface Area35.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity237
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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