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Compound FL0164

CAT: 0013-GTR19269730-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269730-02Size:5 mg
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Description
Compound FL0164, with CAS No. 1363382-34-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0164 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
1363382-34-6
Purity
97.23% (May vary between batches)
Smiles
COC (=O) c1nccnc1-c1ccc (Cl) cc1
Molecular Formula
C12H9ClN2O2
Molecular Weight
248.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Chloro-phenyl)-pyrazine-2-carboxylic acid methyl ester
CAS Number1363382-34-6
PubChem CID72207327
IUPAC Namemethyl 3-(4-chlorophenyl)pyrazine-2-carboxylate
Molecular FormulaC12H9ClN2O2
Molecular Weight248.66
XLogP2.3
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
COC(=O)C1=NC=CN=C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClN2O2/c1-17-12(16)11-10(14-6-7-15-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKey
HAGPLXHPHTWLHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chloro-phenyl)-pyrazine-2-carboxylic acid methyl ester
CAS: 1363382-34-6
CID: 72207327
Formula: C12H9ClN2O2
MW: 248.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.66
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass248.0352552
Monoisotopic Mass248.0352552
Topological Polar Surface Area52.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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