1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-5-chloro-2-ethoxybenzoic acid

2.1.2 InChI

InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)

2.1.3 InChI Key

XWGYOMHQGQZRLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC(=C(C=C1C(=O)O)Cl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 108282-38-8

2. 2-ethoxy-4-amino-5-chlorobenzoic Acid

3. 4-amino-5-chloro-2-ethoxy Benzoic Acid

4. Benzoic Acid, 4-amino-5-chloro-2-ethoxy-

5. Mfcd03840527

6. 4-amino-5-chloro-2-ethoxy-benzoic Acid

7. Schembl99475

8. Xwgyomhqgqzrlc-uhfffaoysa-

9. Amy8758

10. Dtxsid40441418

11. Bcp07327

12. Zinc21297315

13. 2-ethoxy-4-amino5-chlorobenzoic Acid

14. 4-amino-5-chloro-2-ethoxybenzoicacid

15. Akos015888128

16. Cs-w014885

17. Sb78933

18. 4-ammo-5-chloro-2-ethoxy Benzoic Acid

19. As-11809

20. Sy035527

21. Db-030845

22. Ft-0642648

23. 4-amino-5-chloro-2-ethoxybenzoic Acid-[d5]

24. A801835

25. 4-amino-5-chloro-2-ethoxybenzoic Acid, Aldrichcpr

26. 4-amino-5-chloro-2-ethoxy-benzoic Acid;4-amino-5-chloro-2-ethoxy Benzoic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClNO₃
Molecular Weight	215.63 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	215.0349209 g/mol
Monoisotopic Mass	215.0349209 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
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

108282-38-8

108282-38-8

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