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Technical details about 123654-26-2, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 123654-26-2, 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid, 4-amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid, 4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic acid, 7-benzofurancarboxylic acid, 4-amino-5-chloro-2,3-dihydro-, Mfcd12923204
Molecular Formula
C9H8ClNO3
Molecular Weight
213.62  g/mol
InChI Key
KRMUVKSAOVLXLF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid
2.1.2 InChI
InChI=1S/C9H8ClNO3/c10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8/h3H,1-2,11H2,(H,12,13)
2.1.3 InChI Key
KRMUVKSAOVLXLF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC2=C1C(=C(C=C2C(=O)O)Cl)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 123654-26-2

2. 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic Acid

3. 4-amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic Acid

4. 4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic Acid

5. 7-benzofurancarboxylic Acid, 4-amino-5-chloro-2,3-dihydro-

6. Mfcd12923204

7. 4-amino-5-chlorocoumaran-7-carboxylic Acid

8. Schembl1502018

9. 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylicacid

10. Dtxsid50442754

11. Amy34926

12. Bcp07807

13. Akos016006919

14. Pb24062

15. Ac-28383

16. As-19583

17. Sy025646

18. Db-014424

19. Cs-0051044

20. Ft-0753298

21. J-004969

22. J-514392

23. 4-amino-5-chloro-2, 3-dihydrobenzo[b]furan-7-carboxylic Acid

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 213.62 g/mol
Molecular Formula C9H8ClNO3
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area72.6
Heavy Atom Count14
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 Count1
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