Ethacridine Impurity 4

CAT: 1596-AR-E10503-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10503-01Size:10 Units

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CAS Number

451460-48-3

Molecular Formula

C15H12N2O4

Molecular Weight

284.27

API Name

Ethacridine

Chemical Information

9(10H)-Acridinone, 2-ethoxy-6-nitro-

CAS Number	451460-48-3
PubChem CID	14339150
IUPAC Name	2-ethoxy-6-nitro-10H-acridin-9-one
Molecular Formula	C15H12N2O4
Molecular Weight	284.27
XLogP	3.1
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	422

SMILES

CCOC1=CC2=C(C=C1)NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O4/c1-2-21-10-4-6-13-12(8-10)15(18)11-5-3-9(17(19)20)7-14(11)16-13/h3-8H,2H2,1H3,(H,16,18)

InChIKey

JZNARYMNAIRMDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 451460-48-3

CID: 14339150

Formula: C15H12N2O4

MW: 284.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.27
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	284.07970687
Monoisotopic Mass	284.07970687
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-E201009-01	Ethacridine Lactate Impurity 9
RM-E201006-01	Ethacridine Lactate Impurity 6
RM-E201016-01	Ethacridine lactate Impurity 16
RM-E201008-01	Ethacridine Lactate Impurity 8
RM-E201007-01	Ethacridine Lactate Impurity 7
RM-E201004-01	Ethacridine Lactate Impurity 4
RM-E201011-01	Ethacridine Lactate Impurity 11
RM-E201015-01	Ethacridine lactate Impurity 15
RM-E201014-01	Ethacridine lactate Impurity 14
RM-E201005-01	Ethacridine Lactate Impurity 5