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Ethacridine Impurity 10

CAT: 1596-AR-E10509-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10509-02Size:25 Units
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CAS Number
20304-71-6
Molecular Formula
C21H16N2O4
Molecular Weight
360.37
API Name
Ethacridine

Chemical Information

2-Ethoxy-6-nitro-9-phenoxyacridine
CAS Number20304-71-6
PubChem CID129779670
IUPAC Name2-ethoxy-6-nitro-9-phenoxyacridine
Molecular FormulaC21H16N2O4
Molecular Weight360.4
XLogP5.2
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity505
SMILES
CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)OC4=CC=CC=C4
InChI
InChI=1S/C21H16N2O4/c1-2-26-16-9-11-19-18(13-16)21(27-15-6-4-3-5-7-15)17-10-8-14(23(24)25)12-20(17)22-19/h3-13H,2H2,1H3
InChIKey
RIJTYXVERSCHCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-6-nitro-9-phenoxyacridine
CAS: 20304-71-6
CID: 129779670
Formula: C21H16N2O4
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass360.11100700
Monoisotopic Mass360.11100700
Topological Polar Surface Area77.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity505
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