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Pyronaridine Impurity 3

CAT: 1596-AR-P33454-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
1422180-92-4
Molecular Formula
C12H6Cl2N2O
Molecular Weight
265.09
API Name
Pyronaridine

Chemical Information

Pyronaridine Impurity 2
CAS Number1422180-92-4
PubChem CID176488179
IUPAC Name7,10-dichloro-1H-benzo[b][1,5]naphthyridin-2-one
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.09
XLogP2.9
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
C1=CC2=C(C=C1Cl)N=C3C=CC(=O)NC3=C2Cl
InChI
InChI=1S/C12H6Cl2N2O/c13-6-1-2-7-9(5-6)15-8-3-4-10(17)16-12(8)11(7)14/h1-5H,(H,16,17)
InChIKey
STRPMGAOSIWAPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyronaridine Impurity 2
CAS: 1422180-92-4
CID: 176488179
Formula: C12H6Cl2N2O
MW: 265.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.09
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass263.9857182
Monoisotopic Mass263.9857182
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
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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