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Compound FL0109

CAT: 0013-GTR19269709-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269709-01Size:1 mg
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Description
Compound FL0109, with CAS No. 1159010-96-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0109 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
1159010-96-4
Purity
98.82% (May vary between batches)
Smiles
Cl.Brc1cnc2CCNCc2c1
Molecular Formula
C8H10BrClN2
Molecular Weight
249.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Bromo-5,6,7,8-Tetrahydro-1,6-Naphthyridine Hydrochloride
CAS Number1159010-96-4
PubChem CID44118318
IUPAC Name3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
Molecular FormulaC8H10BrClN2
Molecular Weight249.53
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
C1CNCC2=C1N=CC(=C2)Br.Cl
InChI
InChI=1S/C8H9BrN2.ClH/c9-7-3-6-4-10-2-1-8(6)11-5-7;/h3,5,10H,1-2,4H2;1H
InChIKey
UYPMMDKARAQFRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-5,6,7,8-Tetrahydro-1,6-Naphthyridine Hydrochloride
CAS: 1159010-96-4
CID: 44118318
Formula: C8H10BrClN2
MW: 249.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.53
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass247.97159
Monoisotopic Mass247.97159
Topological Polar Surface Area24.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
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

Related Products

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