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A 56234

CAT: 0931-T29498-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29498-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90247-09-9
Target
Others
Related Pathways
Others
Bioactivity
A 56234 is a high-ceiling diuretic.
Smiles
[K].OC(=O)C1Cc2cc3c(noc3c(Cl)c2O1)-c1ccccc1F
Molecular Formula
C16H9ClFKNO4
Molecular Weight
372.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 56234

structure given in first source; RN given refers to parent cpd

CAS Number90247-09-9
PubChem CID23670632
IUPAC Namepotassium 8-chloro-3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylate
Molecular FormulaC16H8ClFKNO4
Molecular Weight371.79
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
C1C(OC2=C(C3=C(C=C21)C(=NO3)C4=CC=CC=C4F)Cl)C(=O)[O-].[K+]
InChI
InChI=1S/C16H9ClFNO4.K/c17-12-14-7(6-11(22-14)16(20)21)5-9-13(19-23-15(9)12)8-3-1-2-4-10(8)18;/h1-5,11H,6H2,(H,20,21);/q;+1/p-1
InChIKey
KXVORPOLZSNEGK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of A 56234
CAS: 90247-09-9
CID: 23670632
Formula: C16H8ClFKNO4
MW: 371.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.79
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass370.9762951
Monoisotopic Mass370.9762951
Topological Polar Surface Area75.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-111181A 56234

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