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Pyronaridine Impurity 4

CAT: 1596-AR-P33455-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33455-02Size:25 Units
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CAS Number
1550046-41-7
Synonyms
7-Chloro-2-methoxybenzo[b][1,5]naphthyridin-10-ol
Molecular Formula
C13H9ClN2O2
Molecular Weight
260.68
API Name
Pyronaridine

Chemical Information

Malaridine Phosphate Impurity 3
CAS Number1550046-41-7
PubChem CID123728090
IUPAC Name7-chloro-2-methoxy-5H-benzo[b][1,5]naphthyridin-10-one
Molecular FormulaC13H9ClN2O2
Molecular Weight260.67
XLogP3.2
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity339
SMILES
COC1=NC2=C(C=C1)NC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C13H9ClN2O2/c1-18-11-5-4-9-12(16-11)13(17)8-3-2-7(14)6-10(8)15-9/h2-6H,1H3,(H,15,17)
InChIKey
NTRAVECWKHNXPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malaridine Phosphate Impurity 3
CAS: 1550046-41-7
CID: 123728090
Formula: C13H9ClN2O2
MW: 260.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.67
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass260.0352552
Monoisotopic Mass260.0352552
Topological Polar Surface Area51.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity339
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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