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Also known as: 22316-45-6, 5'-chloro-2'-nitro-n-phenyl-malonanilic acid ethyl ester, Ethyl 3-(n-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate, Fps7sz92ty, Ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate, Ethyl 5'-chloro-2'-nitro-n-phenylmalonanilate
Molecular Formula
C17H15ClN2O5
Molecular Weight
362.8  g/mol
InChI Key
ZRYOWWCGEBQSKY-UHFFFAOYSA-N
FDA UNII
FPS7SZ92TY

CAS 22316-45-6
1 2D Structure

CAS 22316-45-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate
2.1.2 InChI
InChI=1S/C17H15ClN2O5/c1-2-25-17(22)11-16(21)19(13-6-4-3-5-7-13)15-10-12(18)8-9-14(15)20(23)24/h3-10H,2,11H2,1H3
2.1.3 InChI Key
ZRYOWWCGEBQSKY-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
FPS7SZ92TY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 22316-45-6

2. 5'-chloro-2'-nitro-n-phenyl-malonanilic Acid Ethyl Ester

3. Ethyl 3-(n-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate

4. Fps7sz92ty

5. Ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate

6. Ethyl 5'-chloro-2'-nitro-n-phenylmalonanilate

7. 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxo-propanoic Acid Ethyl Ester;

8. Einecs 244-907-1

9. 5'-chloro-2'-nitro-n-phenylmalonanilic Acid Ethyl Ester

10. Unii-fps7sz92ty

11. Schembl11554466

12. Dtxsid80176858

13. Zryowwcgebqsky-uhfffaoysa-n

14. Akos030254676

15. Propanoic Acid, 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxo-, Ethyl Ester

16. Ns00027125

17. Malonanilic Acid, 5'-chloro-2'-nitro-n-phenyl-, Ethyl Ester

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 362.8 g/mol
Molecular Formula C17H15ClN2O5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area92.4
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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EUROAPI

France
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  • EDQM
  • WHO-GMP

Virtual BoothEUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

5'-Chloro-2'-nitro-N-phenylmalonanilic acid ethyl ...

CAS Number : 22316-45-6

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Rochem International Inc

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Temad Co

Temad- We think of world-class quality.

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EUROAPI

EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

Honour Lab Limited

Honour is a leading global CDMO and specialty chemicals manufacturer with seven world-class sites delivering quality-driven solutions.

Cambrex Corporation

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