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Technical details about 108282-38-8, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 108282-38-8, 2-ethoxy-4-amino-5-chlorobenzoic acid, 4-amino-5-chloro-2-ethoxy benzoic acid, Benzoic acid, 4-amino-5-chloro-2-ethoxy-, Mfcd03840527, 4-amino-5-chloro-2-ethoxy-benzoic acid
Molecular Formula
C9H10ClNO3
Molecular Weight
215.63  g/mol
InChI Key
XWGYOMHQGQZRLC-UHFFFAOYSA-N

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 Weight 215.63 g/mol
Molecular Formula C9H10ClNO3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass215.0349209 g/mol
Monoisotopic Mass215.0349209 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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