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Selexipag Impurity C

CAT: 1596-AR-S10090-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10090-02Size:25 Units
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CAS Number
41270-66-0
Synonyms
5-chloro-2,3-diphenylpyrazine
Molecular Formula
C16H11ClN2
Molecular Weight
266.73
API Name
Selexipag

Chemical Information

5-Chloro-2,3-Diphenylpyrazine
CAS Number41270-66-0
PubChem CID3654493
IUPAC Name5-chloro-2,3-diphenylpyrazine
Molecular FormulaC16H11ClN2
Molecular Weight266.72
XLogP4.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity272
SMILES
C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Cl
InChI
InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKey
VUGNCPVAXWZTOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2,3-Diphenylpyrazine
CAS: 41270-66-0
CID: 3654493
Formula: C16H11ClN2
MW: 266.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.72
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.0610761
Monoisotopic Mass266.0610761
Topological Polar Surface Area25.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity272
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

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