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Selexipag Hydroxy Impurity

CAT: 1596-AR-S10089-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10089-02Size:25 Units
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CAS Number
18591-57-6
Synonyms
5,6-diphenylpyrazin-2 (1H) -one
Molecular Formula
C16H12N2O
Molecular Weight
248.29
API Name
Selexipag

Chemical Information

5,6-Diphenylpyrazin-2-ol
CAS Number18591-57-6
PubChem CID619180
IUPAC Name5,6-diphenyl-1H-pyrazin-2-one
Molecular FormulaC16H12N2O
Molecular Weight248.28
XLogP2.6
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity399
SMILES
C1=CC=C(C=C1)C2=C(N=CC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11H,(H,18,19)
InChIKey
LTWBZUZTTUVPIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Diphenylpyrazin-2-ol
CAS: 18591-57-6
CID: 619180
Formula: C16H12N2O
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.28
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass248.094963011
Monoisotopic Mass248.094963011
Topological Polar Surface Area41.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity399
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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