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Doxazosin EP Impurity E

CAT: 1596-AR-D03987-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D03987-02Size:50 Units
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CAS Number
27631-29-4
Synonyms
2-Chloro-6,7-dimethoxyquinazolin-4-yl Chloride; USP Doxazosin Related Compound E; Doxazosin EP Impurity E;2,4-Dichloro-6,7-dimethoxyquinazoline
Molecular Formula
C10H8Cl2N2O2
Molecular Weight
259.09
API Name
Doxazosin

Chemical Information

2,4-Dichloro-6,7-dimethoxyquinazoline
CAS Number27631-29-4
PubChem CID520327
IUPAC Name2,4-dichloro-6,7-dimethoxyquinazoline
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09
XLogP3.4
Topological Polar Surface Area44.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC
InChI
InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
InChIKey
DGHKCBSVAZXEPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloro-6,7-dimethoxyquinazoline
CAS: 27631-29-4
CID: 520327
Formula: C10H8Cl2N2O2
MW: 259.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.09
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass257.9962829
Monoisotopic Mass257.9962829
Topological Polar Surface Area44.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
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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