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Chemistry

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Also known as: 116496-76-5, N-(2-ethoxy-4-nitrophenyl)acetamide, Acetamide,n-(2-ethoxy-4-nitrophenyl)-, 2'-ethoxy-4'-nitroacetanilide, Cds1_004703, Cbmicro_030367

Molecular Formula

C₁₀H₁₂N₂O₄

Molecular Weight

224.21 g/mol

InChI Key

XZWVZJDHIDYKPB-UHFFFAOYSA-N

1 2D Structure

Sotatercept

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-ethoxy-4-nitrophenyl)acetamide

2.1.2 InChI

InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)

2.1.3 InChI Key

XZWVZJDHIDYKPB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 116496-76-5

2. N-(2-ethoxy-4-nitrophenyl)acetamide

3. Acetamide,n-(2-ethoxy-4-nitrophenyl)-

4. 2'-ethoxy-4'-nitroacetanilide

5. Cds1_004703

6. Cbmicro_030367

7. Oprea1_342150

8. Divk1c_005743

9. Schembl2204761

10. Dtxsid60387001

11. Zinc5061120

12. Mfcd00994990

13. Akos001044796

14. Ab07920

15. Ps-6223

16. Bim-0030123.p001

17. Db-049909

18. Ft-0715219

19. Sr-01000223946

20. Sr-01000223946-1

21. 4-(4-ethoxycarbonylthiazol-2-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

2.3 Create Date

2005-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O₄
Molecular Weight	224.21 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	224.07970687 g/mol
Monoisotopic Mass	224.07970687 g/mol
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264
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