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CAS 1243308-37-3
PharmaCompass
CAS 1243308-37-3
Also known as: 1243308-37-3, Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride, Schembl616304, Ks-00000sva, Molport-039-010-335, Cs-m3402
Molecular Formula
C9H10Cl2N2O3
Molecular Weight
265.09  g/mol
InChI Key
AZWJPQKNPCTYCU-UHFFFAOYSA-N

1 2D Structure

CAS 1243308-37-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate;hydrochloride
2.1.2 InChI
InChI=1S/C9H9ClN2O3.ClH/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7;/h3-5H,2H2,1H3,(H,11,12,13);1H
2.1.3 InChI Key
AZWJPQKNPCTYCU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1243308-37-3

2. Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate Hydrochloride

3. Schembl616304

4. Ks-00000sva

5. Molport-039-010-335

6. Cs-m3402

7. Mfcd28502492

8. 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate Ethyl Ester Monohydrochloride

9. Akos025287133

10. Ds-9233

11. 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetic Acid Ethyl Ester Monohydrochloride

12. Ak167186

13. Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate Hcl

14. Ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate Monohydrochloride

15. 2-((5-chloropyridin-2-yl)amino)2-oxoacetic Acid Ethyl Ester Monohydrochloride

16. Acetic Acid, 2-[(5-chloro-2-pyridinyl)amino]-2-oxo-,ethyl Ester, Hydrochloride (1:1)

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 265.09 g/mol
Molecular Formula C9H10Cl2N2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass264.007 g/mol
Monoisotopic Mass264.007 g/mol
Topological Polar Surface Area68.3 A^2
Heavy Atom Count16
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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